NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8181 | 1lr1 | 5390 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 1HT SER 1 4.132 4.685 0.298 2 HA SER 1 HA SER 1 6.788 5.152 0.240 3 1HB SER 1 2HB SER 1 6.425 7.390 1.175 4 2HB SER 1 1HB SER 1 5.540 6.695 2.532 5 HG SER 1 HG SER 1 7.451 5.656 3.170 6 H GLU 2 H GLU 2 4.029 4.488 2.324 7 HA GLU 2 HA GLU 2 5.421 2.598 3.965 8 1HB GLU 2 2HB GLU 2 3.514 3.865 4.828 9 2HB GLU 2 1HB GLU 2 2.461 3.111 3.638 10 1HG GLU 2 2HG GLU 2 2.852 0.932 4.659 11 2HG GLU 2 1HG GLU 2 3.922 1.678 5.845 12 H ALA 3 H ALA 3 3.497 2.450 1.054 13 HA ALA 3 HA ALA 3 3.157 -0.411 1.124 14 1HB ALA 3 1HB ALA 3 2.170 -0.150 -1.082 15 2HB ALA 3 2HB ALA 3 2.732 1.520 -1.156 16 3HB ALA 3 3HB ALA 3 1.510 1.051 0.028 17 H LEU 4 H LEU 4 5.463 1.806 0.040 18 HA LEU 4 HA LEU 4 6.790 0.075 -1.830 19 1HB LEU 4 2HB LEU 4 7.574 2.735 -0.632 20 2HB LEU 4 1HB LEU 4 8.382 1.955 -1.982 21 HG LEU 4 HG LEU 4 7.013 3.655 -2.906 22 1HD1 LEU 4 1HD1 LEU 4 4.994 1.821 -3.602 23 2HD1 LEU 4 2HD1 LEU 4 6.485 0.907 -3.385 24 3HD1 LEU 4 3HD1 LEU 4 6.438 2.259 -4.518 25 1HD2 LEU 4 1HD2 LEU 4 5.489 3.471 -0.682 26 2HD2 LEU 4 2HD2 LEU 4 4.435 2.685 -1.856 27 3HD2 LEU 4 3HD2 LEU 4 5.002 4.331 -2.141 28 H LYS 5 H LYS 5 7.377 1.459 1.332 29 HA LYS 5 HA LYS 5 9.831 0.033 1.740 30 1HB LYS 5 2HB LYS 5 9.547 2.280 2.650 31 2HB LYS 5 1HB LYS 5 8.203 1.725 3.640 32 1HG LYS 5 2HG LYS 5 10.365 1.972 4.855 33 2HG LYS 5 1HG LYS 5 9.636 0.364 4.965 34 1HD LYS 5 2HD LYS 5 11.115 -0.428 3.187 35 2HD LYS 5 1HD LYS 5 11.847 1.174 3.081 36 1HE LYS 5 2HE LYS 5 13.243 -0.336 4.392 37 2HE LYS 5 1HE LYS 5 12.629 0.984 5.387 38 1HZ LYS 5 1HZ LYS 5 11.891 -0.560 6.773 39 2HZ LYS 5 2HZ LYS 5 12.261 -1.813 5.699 40 3HZ LYS 5 3HZ LYS 5 10.766 -1.031 5.599 41 H ILE 6 H ILE 6 6.483 -0.542 2.455 42 HA ILE 6 HA ILE 6 6.618 -2.163 4.692 43 HB ILE 6 HB ILE 6 4.465 -1.566 3.753 44 1HG1 ILE 6 2HG1 ILE 6 4.899 -4.539 3.428 45 2HG1 ILE 6 1HG1 ILE 6 4.717 -3.724 4.973 46 1HG2 ILE 6 1HG2 ILE 6 3.705 -2.115 1.635 47 2HG2 ILE 6 2HG2 ILE 6 4.904 -3.392 1.424 48 3HG2 ILE 6 3HG2 ILE 6 5.396 -1.699 1.352 49 1HD1 ILE 6 1HD1 ILE 6 2.522 -2.874 3.593 50 2HD1 ILE 6 2HD1 ILE 6 2.550 -4.210 4.744 51 3HD1 ILE 6 3HD1 ILE 6 2.720 -4.531 3.014 52 H LEU 7 H LEU 7 6.827 -2.980 1.318 53 HA LEU 7 HA LEU 7 7.921 -5.602 1.953 54 1HB LEU 7 2HB LEU 7 6.676 -6.338 0.246 55 2HB LEU 7 1HB LEU 7 5.970 -4.735 0.157 56 HG LEU 7 HG LEU 7 8.111 -4.283 -1.355 57 1HD1 LEU 7 1HD1 LEU 7 8.041 -7.154 -1.041 58 2HD1 LEU 7 2HD1 LEU 7 9.274 -6.128 -1.777 59 3HD1 LEU 7 3HD1 LEU 7 7.892 -6.677 -2.735 60 1HD2 LEU 7 1HD2 LEU 7 5.778 -3.955 -1.990 61 2HD2 LEU 7 2HD2 LEU 7 5.623 -5.687 -2.312 62 3HD2 LEU 7 3HD2 LEU 7 6.708 -4.699 -3.294 63 H ASN 8 H ASN 8 8.762 -2.503 1.129 64 HA ASN 8 HA ASN 8 10.684 -1.495 0.429 65 1HB ASN 8 2HB ASN 8 11.668 -3.086 2.136 66 2HB ASN 8 1HB ASN 8 12.017 -4.186 0.804 67 1HD2 ASN 8 1HD2 ASN 8 12.280 -1.089 -0.342 68 2HD2 ASN 8 2HD2 ASN 8 13.992 -0.873 -0.146 69 H ASN 9 H ASN 9 8.888 -2.969 -1.397 70 HA ASN 9 HA ASN 9 8.691 -3.326 -3.626 71 1HB ASN 9 2HB ASN 9 11.525 -2.275 -3.744 72 2HB ASN 9 1HB ASN 9 10.479 -2.536 -5.136 73 1HD2 ASN 9 1HD2 ASN 9 8.540 -1.497 -2.637 74 2HD2 ASN 9 2HD2 ASN 9 8.531 0.189 -2.997 75 H ILE 10 H ILE 10 8.683 -5.196 -4.656 76 HA ILE 10 HA ILE 10 9.928 -7.495 -3.779 77 HB ILE 10 HB ILE 10 9.264 -8.554 -5.859 78 1HG1 ILE 10 2HG1 ILE 10 9.901 -6.707 -7.392 79 2HG1 ILE 10 1HG1 ILE 10 8.276 -7.310 -7.694 80 1HG2 ILE 10 1HG2 ILE 10 7.490 -8.493 -4.414 81 2HG2 ILE 10 2HG2 ILE 10 6.806 -7.662 -5.814 82 3HG2 ILE 10 3HG2 ILE 10 7.386 -6.731 -4.432 83 1HD1 ILE 10 1HD1 ILE 10 7.853 -5.242 -5.937 84 2HD1 ILE 10 2HD1 ILE 10 7.656 -5.183 -7.690 85 3HD1 ILE 10 3HD1 ILE 10 9.170 -4.655 -6.954 86 H ARG 11 H ARG 11 11.181 -5.085 -5.955 87 HA ARG 11 HA ARG 11 13.071 -6.510 -7.375 88 1HB ARG 11 2HB ARG 11 14.347 -4.386 -7.503 89 2HB ARG 11 1HB ARG 11 12.636 -4.189 -7.858 90 1HG ARG 11 2HG ARG 11 12.266 -3.333 -5.597 91 2HG ARG 11 1HG ARG 11 13.986 -3.522 -5.250 92 1HD ARG 11 2HD ARG 11 14.522 -1.943 -7.037 93 2HD ARG 11 1HD ARG 11 12.804 -1.754 -7.387 94 HE ARG 11 HE ARG 11 13.225 -1.160 -4.687 95 1HH1 ARG 11 1HH1 ARG 11 14.006 0.115 -7.835 96 2HH1 ARG 11 2HH1 ARG 11 14.077 1.758 -7.293 97 1HH2 ARG 11 1HH2 ARG 11 13.315 1.000 -3.966 98 2HH2 ARG 11 2HH2 ARG 11 13.683 2.262 -5.094 99 H THR 12 H THR 12 13.505 -4.982 -4.179 100 HA THR 12 HA THR 12 16.135 -6.156 -3.905 101 HB THR 12 HB THR 12 15.626 -3.894 -2.991 102 HG1 THR 12 1HG THR 12 16.672 -4.345 -0.946 103 1HG2 THR 12 1HG2 THR 12 14.269 -3.581 -1.092 104 2HG2 THR 12 2HG2 THR 12 14.159 -5.314 -0.785 105 3HG2 THR 12 3HG2 THR 12 13.318 -4.608 -2.166 106 H LEU 13 H LEU 13 12.886 -6.731 -2.690 107 HA LEU 13 HA LEU 13 13.539 -8.466 -0.593 108 1HB LEU 13 2HB LEU 13 11.290 -7.406 -1.104 109 2HB LEU 13 1HB LEU 13 11.056 -8.688 -2.276 110 HG LEU 13 HG LEU 13 11.507 -9.128 0.681 111 1HD1 LEU 13 1HD1 LEU 13 9.386 -8.080 0.407 112 2HD1 LEU 13 2HD1 LEU 13 9.103 -9.804 0.652 113 3HD1 LEU 13 3HD1 LEU 13 8.989 -9.112 -0.967 114 1HD2 LEU 13 1HD2 LEU 13 12.262 -10.983 -0.758 115 2HD2 LEU 13 2HD2 LEU 13 10.648 -11.056 -1.472 116 3HD2 LEU 13 3HD2 LEU 13 10.871 -11.420 0.240 117 H ARG 14 H ARG 14 12.439 -9.326 -3.886 118 HA ARG 14 HA ARG 14 12.645 -12.041 -3.726 119 1HB ARG 14 2HB ARG 14 11.748 -10.841 -5.656 120 2HB ARG 14 1HB ARG 14 13.363 -10.286 -6.075 121 1HG ARG 14 2HG ARG 14 14.063 -12.472 -6.646 122 2HG ARG 14 1HG ARG 14 12.611 -13.189 -5.943 123 1HD ARG 14 2HD ARG 14 11.257 -11.986 -7.618 124 2HD ARG 14 1HD ARG 14 12.746 -11.392 -8.352 125 HE ARG 14 HE ARG 14 12.954 -14.155 -8.243 126 1HH1 ARG 14 1HH1 ARG 14 10.888 -11.792 -9.743 127 2HH1 ARG 14 2HH1 ARG 14 10.538 -12.780 -11.121 128 1HH2 ARG 14 1HH2 ARG 14 12.496 -15.471 -10.045 129 2HH2 ARG 14 2HH2 ARG 14 11.452 -14.875 -11.293 130 H ALA 15 H ALA 15 15.217 -9.725 -3.890 131 HA ALA 15 HA ALA 15 17.245 -11.692 -4.532 132 1HB ALA 15 1HB ALA 15 18.776 -9.897 -4.539 133 2HB ALA 15 2HB ALA 15 17.676 -8.868 -3.625 134 3HB ALA 15 3HB ALA 15 17.299 -9.301 -5.293 135 H GLN 16 H GLN 16 16.474 -9.618 -1.736 136 HA GLN 16 HA GLN 16 18.497 -10.665 -0.062 137 1HB GLN 16 2HB GLN 16 17.253 -9.609 1.782 138 2HB GLN 16 1HB GLN 16 17.410 -8.521 0.410 139 1HG GLN 16 2HG GLN 16 15.129 -9.086 -0.282 140 2HG GLN 16 1HG GLN 16 14.974 -10.133 1.126 141 1HE2 GLN 16 2HE2 GLN 16 14.157 -7.225 -0.044 142 2HE2 GLN 16 1HE2 GLN 16 13.992 -6.327 1.434 143 H ALA 17 H ALA 17 15.260 -11.597 -0.780 144 HA ALA 17 HA ALA 17 15.143 -13.647 1.257 145 1HB ALA 17 1HB ALA 17 12.978 -14.152 -0.182 146 2HB ALA 17 2HB ALA 17 13.256 -12.490 -0.712 147 3HB ALA 17 3HB ALA 17 13.033 -12.845 1.002 148 H ARG 18 H ARG 18 16.030 -13.272 -2.047 149 HA ARG 18 HA ARG 18 15.572 -15.674 -3.234 150 1HB ARG 18 2HB ARG 18 16.762 -13.786 -4.278 151 2HB ARG 18 1HB ARG 18 18.171 -14.133 -3.289 152 1HG ARG 18 2HG ARG 18 18.446 -16.275 -4.388 153 2HG ARG 18 1HG ARG 18 16.993 -15.980 -5.350 154 1HD ARG 18 2HD ARG 18 18.046 -13.997 -6.317 155 2HD ARG 18 1HD ARG 18 19.497 -14.307 -5.368 156 HE ARG 18 HE ARG 18 18.858 -15.470 -7.847 157 1HH1 ARG 18 1HH1 ARG 18 20.161 -16.333 -4.729 158 2HH1 ARG 18 2HH1 ARG 18 21.090 -17.659 -5.344 159 1HH2 ARG 18 1HH2 ARG 18 20.078 -17.212 -8.660 160 2HH2 ARG 18 2HH2 ARG 18 21.043 -18.159 -7.577 161 H GLU 19 H GLU 19 17.799 -14.968 -0.650 162 HA GLU 19 HA GLU 19 18.914 -17.670 -0.742 163 1HB GLU 19 2HB GLU 19 20.446 -16.866 1.014 164 2HB GLU 19 1HB GLU 19 20.498 -15.859 -0.427 165 1HG GLU 19 2HG GLU 19 19.065 -14.212 0.666 166 2HG GLU 19 1HG GLU 19 19.008 -15.223 2.110 167 H SER 20 H SER 20 16.126 -17.401 -0.041 168 HA SER 20 HA SER 20 16.121 -18.988 2.320 169 1HB SER 20 2HB SER 20 14.817 -17.472 3.767 170 2HB SER 20 1HB SER 20 16.414 -16.817 3.408 171 HG SER 20 HG SER 20 14.203 -16.133 1.806 172 H THR 21 H THR 21 13.507 -18.530 3.187 173 HA THR 21 HA THR 21 12.020 -19.731 0.997 174 HB THR 21 HB THR 21 11.229 -19.288 3.885 175 HG1 THR 21 1HG THR 21 12.083 -21.212 4.250 176 1HG2 THR 21 1HG2 THR 21 9.193 -19.505 2.772 177 2HG2 THR 21 2HG2 THR 21 9.565 -21.166 3.229 178 3HG2 THR 21 3HG2 THR 21 9.852 -20.622 1.578 179 H LEU 22 H LEU 22 9.884 -19.008 0.397 180 HA LEU 22 HA LEU 22 9.722 -16.266 -0.107 181 1HB LEU 22 1HB LEU 22 7.943 -16.760 -1.387 182 2HB LEU 22 2HB LEU 22 8.478 -18.412 -1.143 183 HG LEU 22 HG LEU 22 6.378 -17.066 0.552 184 1HD1 LEU 22 1HD1 LEU 22 5.624 -17.190 -1.751 185 2HD1 LEU 22 2HD1 LEU 22 4.756 -18.356 -0.748 186 3HD1 LEU 22 3HD1 LEU 22 6.051 -18.902 -1.813 187 1HD2 LEU 22 1HD2 LEU 22 7.797 -19.190 1.254 188 2HD2 LEU 22 2HD2 LEU 22 6.595 -19.999 0.250 189 3HD2 LEU 22 3HD2 LEU 22 6.081 -19.027 1.631 190 H GLU 23 H GLU 23 9.084 -17.993 2.715 191 HA GLU 23 HA GLU 23 6.906 -16.998 3.928 192 1HB GLU 23 2HB GLU 23 8.536 -18.461 5.041 193 2HB GLU 23 1HB GLU 23 9.657 -17.115 5.180 194 1HG GLU 23 2HG GLU 23 8.077 -15.944 6.628 195 2HG GLU 23 1HG GLU 23 6.953 -17.296 6.490 196 H THR 24 H THR 24 9.665 -15.157 2.937 197 HA THR 24 HA THR 24 9.494 -12.873 4.486 198 HB THR 24 HB THR 24 10.398 -11.631 2.557 199 HG1 THR 24 1HG THR 24 10.700 -13.684 0.845 200 1HG2 THR 24 1HG2 THR 24 12.455 -12.597 2.687 201 2HG2 THR 24 2HG2 THR 24 11.832 -14.220 2.386 202 3HG2 THR 24 3HG2 THR 24 11.667 -13.494 3.986 203 H LEU 25 H LEU 25 7.562 -13.848 1.689 204 HA LEU 25 HA LEU 25 6.071 -11.448 1.574 205 1HB LEU 25 2HB LEU 25 4.408 -12.872 0.259 206 2HB LEU 25 1HB LEU 25 5.990 -12.598 -0.424 207 HG LEU 25 HG LEU 25 6.659 -14.890 0.294 208 1HD1 LEU 25 1HD2 LEU 25 4.113 -16.075 0.546 209 2HD1 LEU 25 2HD2 LEU 25 4.194 -14.770 1.726 210 3HD1 LEU 25 3HD2 LEU 25 5.424 -16.038 1.727 211 1HD2 LEU 25 1HD1 LEU 25 4.729 -14.134 -1.738 212 2HD2 LEU 25 2HD1 LEU 25 4.614 -15.837 -1.293 213 3HD2 LEU 25 3HD1 LEU 25 6.150 -15.174 -1.853 214 H GLU 26 H GLU 26 5.518 -14.602 3.118 215 HA GLU 26 HA GLU 26 2.948 -14.020 4.063 216 1HB GLU 26 1HB GLU 26 3.710 -16.271 4.234 217 2HB GLU 26 2HB GLU 26 5.122 -15.799 5.176 218 1HG GLU 26 2HG GLU 26 3.688 -15.188 7.044 219 2HG GLU 26 1HG GLU 26 2.262 -15.609 6.098 220 H GLU 27 H GLU 27 6.062 -12.872 4.906 221 HA GLU 27 HA GLU 27 5.249 -11.804 7.475 222 1HB GLU 27 1HB GLU 27 7.556 -12.572 7.153 223 2HB GLU 27 2HB GLU 27 7.780 -11.388 5.874 224 1HG GLU 27 2HG GLU 27 8.802 -10.637 7.935 225 2HG GLU 27 1HG GLU 27 7.465 -9.581 7.479 226 H MET 28 H MET 28 6.305 -10.442 4.356 227 HA MET 28 HA MET 28 5.294 -7.829 5.101 228 1HB MET 28 2HB MET 28 6.720 -8.742 2.602 229 2HB MET 28 1HB MET 28 6.311 -7.076 2.988 230 1HG MET 28 1HG MET 28 7.755 -7.163 4.947 231 2HG MET 28 2HG MET 28 8.152 -8.842 4.586 232 1HE MET 28 1HE MET 28 11.070 -8.228 4.323 233 2HE MET 28 2HE MET 28 10.197 -7.003 5.245 234 3HE MET 28 3HE MET 28 11.298 -6.517 3.953 235 H LEU 29 H LEU 29 4.719 -10.230 2.559 236 HA LEU 29 HA LEU 29 2.714 -8.831 1.150 237 1HB LEU 29 2HB LEU 29 3.765 -10.620 0.061 238 2HB LEU 29 1HB LEU 29 3.470 -11.735 1.372 239 HG LEU 29 HG LEU 29 0.980 -11.517 0.746 240 1HD1 LEU 29 1HD1 LEU 29 1.945 -10.826 -1.973 241 2HD1 LEU 29 2HD1 LEU 29 1.693 -9.516 -0.820 242 3HD1 LEU 29 3HD1 LEU 29 0.361 -10.591 -1.238 243 1HD2 LEU 29 1HD2 LEU 29 2.076 -13.557 0.350 244 2HD2 LEU 29 2HD2 LEU 29 3.079 -12.867 -0.927 245 3HD2 LEU 29 3HD2 LEU 29 1.354 -13.119 -1.198 246 H GLU 30 H GLU 30 2.469 -11.089 3.884 247 HA GLU 30 HA GLU 30 -0.345 -11.273 3.906 248 1HB GLU 30 2HB GLU 30 0.937 -12.849 5.185 249 2HB GLU 30 1HB GLU 30 1.675 -11.563 6.131 250 1HG GLU 30 2HG GLU 30 -0.502 -11.038 7.112 251 2HG GLU 30 1HG GLU 30 -1.234 -12.339 6.174 252 H LYS 31 H LYS 31 1.879 -8.928 5.246 253 HA LYS 31 HA LYS 31 -0.227 -7.531 6.675 254 1HB LYS 31 2HB LYS 31 2.601 -6.578 6.268 255 2HB LYS 31 1HB LYS 31 1.486 -6.162 7.566 256 1HG LYS 31 1HG LYS 31 2.733 -8.855 7.094 257 2HG LYS 31 2HG LYS 31 3.207 -7.695 8.339 258 1HD LYS 31 2HD LYS 31 1.061 -7.918 9.421 259 2HD LYS 31 1HD LYS 31 0.470 -8.947 8.113 260 1HE LYS 31 2HE LYS 31 2.121 -10.643 8.680 261 2HE LYS 31 1HE LYS 31 2.756 -9.613 9.964 262 1HZ LYS 31 1HZ LYS 31 1.044 -10.098 11.322 263 2HZ LYS 31 2HZ LYS 31 0.930 -11.492 10.371 264 3HZ LYS 31 3HZ LYS 31 -0.093 -10.180 10.071 265 H LEU 32 H LEU 32 1.466 -7.440 3.707 266 HA LEU 32 HA LEU 32 0.859 -4.764 2.968 267 1HB LEU 32 2HB LEU 32 2.672 -6.050 1.952 268 2HB LEU 32 1HB LEU 32 1.504 -7.171 1.277 269 HG LEU 32 HG LEU 32 0.564 -5.334 -0.095 270 1HD1 LEU 32 1HD1 LEU 32 1.264 -3.163 -0.002 271 2HD1 LEU 32 2HD1 LEU 32 2.865 -3.585 0.603 272 3HD1 LEU 32 3HD1 LEU 32 1.475 -3.617 1.689 273 1HD2 LEU 32 1HD2 LEU 32 3.551 -5.517 -0.403 274 2HD2 LEU 32 2HD2 LEU 32 2.359 -5.186 -1.659 275 3HD2 LEU 32 3HD2 LEU 32 2.424 -6.777 -0.901 276 H GLU 33 H GLU 33 -0.823 -7.769 3.003 277 HA GLU 33 HA GLU 33 -2.890 -6.800 1.199 278 1HB GLU 33 2HB GLU 33 -3.783 -8.941 1.189 279 2HB GLU 33 1HB GLU 33 -2.064 -9.245 1.366 280 1HG GLU 33 2HG GLU 33 -3.047 -10.725 2.853 281 2HG GLU 33 1HG GLU 33 -2.538 -9.387 3.879 282 H VAL 34 H VAL 34 -2.331 -7.298 4.644 283 HA VAL 34 HA VAL 34 -5.010 -6.711 5.437 284 HB VAL 34 HB VAL 34 -4.232 -6.525 7.685 285 1HG1 VAL 34 1HG1 VAL 34 -4.269 -8.755 7.444 286 2HG1 VAL 34 2HG1 VAL 34 -2.521 -8.601 7.633 287 3HG1 VAL 34 3HG1 VAL 34 -3.227 -8.726 6.022 288 1HG2 VAL 34 1HG2 VAL 34 -1.443 -6.378 6.564 289 2HG2 VAL 34 2HG2 VAL 34 -1.840 -6.524 8.276 290 3HG2 VAL 34 3HG2 VAL 34 -2.323 -5.086 7.378 291 H VAL 35 H VAL 35 -2.088 -4.825 4.887 292 HA VAL 35 HA VAL 35 -2.970 -2.392 5.981 293 HB VAL 35 HB VAL 35 -0.626 -2.669 5.345 294 1HG1 VAL 35 1HG1 VAL 35 -1.718 -3.584 2.888 295 2HG1 VAL 35 2HG1 VAL 35 -0.039 -3.596 3.425 296 3HG1 VAL 35 3HG1 VAL 35 -0.677 -2.199 2.559 297 1HG2 VAL 35 1HG2 VAL 35 -2.247 -0.427 4.651 298 2HG2 VAL 35 2HG2 VAL 35 -0.918 -0.567 3.497 299 3HG2 VAL 35 3HG2 VAL 35 -0.579 -0.458 5.226 300 H VAL 36 H VAL 36 -3.144 -3.667 2.661 301 HA VAL 36 HA VAL 36 -4.818 -1.502 1.800 302 HB VAL 36 HB VAL 36 -3.358 -2.716 0.203 303 1HG1 VAL 36 1HG1 VAL 36 -3.396 -4.957 0.532 304 2HG1 VAL 36 2HG1 VAL 36 -4.629 -4.846 -0.726 305 3HG1 VAL 36 3HG1 VAL 36 -5.104 -4.966 0.969 306 1HG2 VAL 36 1HG2 VAL 36 -5.672 -3.156 -1.282 307 2HG2 VAL 36 2HG2 VAL 36 -4.698 -1.687 -1.215 308 3HG2 VAL 36 3HG2 VAL 36 -6.072 -1.881 -0.126 309 H ASN 37 H ASN 37 -5.276 -4.468 3.423 310 HA ASN 37 HA ASN 37 -7.854 -5.198 2.601 311 1HB ASN 37 2HB ASN 37 -6.312 -6.476 4.161 312 2HB ASN 37 1HB ASN 37 -6.794 -5.359 5.432 313 1HD2 ASN 37 2HD2 ASN 37 -7.247 -8.333 4.447 314 2HD2 ASN 37 1HD2 ASN 37 -8.902 -8.592 4.899 315 H GLU 38 H GLU 38 -6.764 -3.033 5.166 316 HA GLU 38 HA GLU 38 -9.371 -2.197 5.945 317 1HB GLU 38 2HB GLU 38 -6.710 -0.795 6.296 318 2HB GLU 38 1HB GLU 38 -8.201 -0.375 7.129 319 1HG GLU 38 2HG GLU 38 -8.212 -2.563 8.214 320 2HG GLU 38 1HG GLU 38 -6.718 -2.983 7.378 321 H ARG 39 H ARG 39 -6.906 -0.929 3.770 322 HA ARG 39 HA ARG 39 -8.307 1.426 3.017 323 1HB ARG 39 2HB ARG 39 -6.006 -0.090 1.846 324 2HB ARG 39 1HB ARG 39 -6.728 1.251 0.990 325 1HG ARG 39 1HG ARG 39 -4.791 1.994 2.190 326 2HG ARG 39 2HG ARG 39 -6.237 2.706 2.898 327 1HD ARG 39 1HD ARG 39 -6.146 0.706 4.523 328 2HD ARG 39 2HD ARG 39 -4.477 0.548 3.970 329 HE ARG 39 HE ARG 39 -3.976 2.237 5.397 330 1HH1 ARG 39 1HH1 ARG 39 -7.251 2.706 4.287 331 2HH1 ARG 39 2HH1 ARG 39 -7.498 4.143 5.223 332 1HH2 ARG 39 1HH2 ARG 39 -4.301 4.126 6.636 333 2HH2 ARG 39 2HH2 ARG 39 -5.825 4.947 6.558 334 H ARG 40 H ARG 40 -8.318 -1.845 1.894 335 HA ARG 40 HA ARG 40 -9.510 -1.437 -0.623 336 1HB ARG 40 2HB ARG 40 -8.845 -3.713 1.110 337 2HB ARG 40 1HB ARG 40 -10.271 -3.985 0.114 338 1HG ARG 40 2HG ARG 40 -7.562 -3.155 -0.925 339 2HG ARG 40 1HG ARG 40 -8.172 -4.817 -0.894 340 1HD ARG 40 1HD ARG 40 -8.506 -3.937 -3.094 341 2HD ARG 40 2HD ARG 40 -10.080 -4.070 -2.310 342 HE ARG 40 HE ARG 40 -9.066 -1.477 -1.921 343 1HH1 ARG 40 1HH1 ARG 40 -10.333 -3.520 -4.443 344 2HH1 ARG 40 2HH1 ARG 40 -10.947 -2.199 -5.380 345 1HH2 ARG 40 1HH2 ARG 40 -9.873 0.266 -3.146 346 2HH2 ARG 40 2HH2 ARG 40 -10.685 -0.048 -4.643 347 H GLU 41 H GLU 41 -10.825 -2.176 2.567 348 HA GLU 41 HA GLU 41 -13.549 -2.129 1.595 349 1HB GLU 41 2HB GLU 41 -14.156 -2.526 3.950 350 2HB GLU 41 1HB GLU 41 -12.969 -3.680 3.360 351 1HG GLU 41 2HG GLU 41 -11.193 -2.430 4.473 352 2HG GLU 41 1HG GLU 41 -12.381 -1.271 5.063 353 H GLU 42 H GLU 42 -11.363 0.120 3.159 354 HA GLU 42 HA GLU 42 -13.505 1.937 3.874 355 1HB GLU 42 2HB GLU 42 -10.510 2.171 4.123 356 2HB GLU 42 1HB GLU 42 -11.639 3.409 4.656 357 1HG GLU 42 1HG GLU 42 -12.643 1.822 6.218 358 2HG GLU 42 2HG GLU 42 -11.508 0.583 5.685 359 H GLU 43 H GLU 43 -10.922 1.788 1.478 360 HA GLU 43 HA GLU 43 -11.252 4.377 0.449 361 1HB GLU 43 2HB GLU 43 -10.055 1.862 -0.599 362 2HB GLU 43 1HB GLU 43 -10.288 3.223 -1.694 363 1HG GLU 43 2HG GLU 43 -8.850 3.443 0.930 364 2HG GLU 43 1HG GLU 43 -8.035 3.073 -0.585 365 H SER 44 H SER 44 -12.702 1.277 -0.504 366 HA SER 44 HA SER 44 -14.176 2.210 -2.698 367 1HB SER 44 2HB SER 44 -13.977 -0.192 -2.155 368 2HB SER 44 1HB SER 44 -14.938 0.056 -0.697 369 HG SER 44 HG SER 44 -16.298 1.057 -2.735 370 H ALA 45 H ALA 45 -14.637 2.360 0.729 371 HA ALA 45 HA ALA 45 -17.307 3.326 0.764 372 1HB ALA 45 1HB ALA 45 -15.105 2.934 2.684 373 2HB ALA 45 2HB ALA 45 -16.828 2.561 2.835 374 3HB ALA 45 3HB ALA 45 -16.255 4.209 3.098 375 H ALA 46 H ALA 46 -14.118 4.872 0.896 376 HA ALA 46 HA ALA 46 -14.992 7.521 1.233 377 1HB ALA 46 1HB ALA 46 -12.759 8.169 0.516 378 2HB ALA 46 2HB ALA 46 -12.476 6.552 -0.131 379 3HB ALA 46 3HB ALA 46 -12.671 6.786 1.605 380 H ALA 47 H ALA 47 -14.420 5.572 -1.652 381 HA ALA 47 HA ALA 47 -14.713 7.625 -3.557 382 1HB ALA 47 1HB ALA 47 -14.576 4.711 -3.565 383 2HB ALA 47 2HB ALA 47 -13.900 5.882 -4.698 384 3HB ALA 47 3HB ALA 47 -15.581 5.373 -4.855 385 H ALA 48 H ALA 48 -17.052 5.366 -2.145 386 HA ALA 48 HA ALA 48 -19.262 6.223 -3.693 387 1HB ALA 48 1HB ALA 48 -19.160 4.837 -1.018 388 2HB ALA 48 2HB ALA 48 -19.304 4.077 -2.604 389 3HB ALA 48 3HB ALA 48 -20.624 5.065 -1.975 390 H GLU 49 H GLU 49 -18.030 7.167 -0.522 391 HA GLU 49 HA GLU 49 -20.146 8.870 0.207 392 1HB GLU 49 2HB GLU 49 -18.507 8.047 1.819 393 2HB GLU 49 1HB GLU 49 -17.234 8.952 1.012 394 1HG GLU 49 1HG GLU 49 -17.899 10.116 2.994 395 2HG GLU 49 2HG GLU 49 -18.400 11.045 1.583 396 H VAL 50 H VAL 50 -17.027 9.584 -1.356 397 HA VAL 50 HA VAL 50 -17.472 12.367 -1.574 398 HB VAL 50 HB VAL 50 -15.628 12.385 -3.190 399 1HG1 VAL 50 1HG1 VAL 50 -15.148 10.614 -0.796 400 2HG1 VAL 50 2HG1 VAL 50 -15.100 12.376 -0.825 401 3HG1 VAL 50 3HG1 VAL 50 -13.895 11.446 -1.716 402 1HG2 VAL 50 1HG2 VAL 50 -16.037 10.417 -4.468 403 2HG2 VAL 50 2HG2 VAL 50 -15.887 9.390 -3.043 404 3HG2 VAL 50 3HG2 VAL 50 -14.470 10.218 -3.685 405 H GLU 51 H GLU 51 -18.162 9.664 -3.731 406 HA GLU 51 HA GLU 51 -19.415 9.489 -5.617 407 1HB GLU 51 1HB GLU 51 -21.130 10.500 -4.122 408 2HB GLU 51 2HB GLU 51 -20.652 12.092 -4.696 409 1HG GLU 51 2HG GLU 51 -21.323 11.476 -6.963 410 2HG GLU 51 1HG GLU 51 -21.804 9.883 -6.385 411 H GLU 52 H GLU 52 -20.108 12.727 -6.294 412 HA GLU 52 HA GLU 52 -17.689 13.484 -7.582 413 1HB GLU 52 2HB GLU 52 -18.358 11.714 -9.139 414 2HB GLU 52 1HB GLU 52 -19.929 12.478 -9.348 415 1HG GLU 52 2HG GLU 52 -18.544 12.981 -11.235 416 2HG GLU 52 1HG GLU 52 -18.811 14.454 -10.304 417 H ARG 53 H ARG 53 -21.231 13.792 -7.706 418 HA ARG 53 HA ARG 53 -21.257 16.471 -8.595 419 1HB ARG 53 1HB ARG 53 -23.214 15.011 -8.774 420 2HB ARG 53 2HB ARG 53 -23.338 14.943 -7.022 421 1HG ARG 53 1HG ARG 53 -23.801 17.336 -6.953 422 2HG ARG 53 2HG ARG 53 -23.659 17.416 -8.711 423 1HD ARG 53 1HD ARG 53 -25.684 15.794 -7.174 424 2HD ARG 53 2HD ARG 53 -25.998 17.321 -7.999 425 HE ARG 53 HE ARG 53 -24.918 15.522 -9.849 426 1HH1 ARG 53 1HH1 ARG 53 -27.809 15.960 -7.951 427 2HH1 ARG 53 2HH1 ARG 53 -28.831 15.142 -9.084 428 1HH2 ARG 53 1HH2 ARG 53 -26.257 14.443 -11.346 429 2HH2 ARG 53 2HH2 ARG 53 -27.948 14.278 -11.013 430 H THR 54 H THR 54 -21.559 15.061 -5.346 431 HA THR 54 HA THR 54 -21.767 17.541 -3.994 432 HB THR 54 HB THR 54 -21.277 16.268 -1.944 433 HG1 THR 54 1HG THR 54 -20.600 14.257 -3.824 434 1HG2 THR 54 1HG2 THR 54 -23.050 14.320 -2.610 435 2HG2 THR 54 2HG2 THR 54 -23.329 15.488 -3.902 436 3HG2 THR 54 3HG2 THR 54 -23.497 15.980 -2.216 437 H ARG 55 H ARG 55 -20.264 18.866 -3.123 438 HA ARG 55 HA ARG 55 -17.578 18.193 -2.615 439 1HB ARG 55 2HB ARG 55 -16.495 19.509 -4.419 440 2HB ARG 55 1HB ARG 55 -17.329 18.081 -5.016 441 1HG ARG 55 2HG ARG 55 -19.249 19.523 -5.636 442 2HG ARG 55 1HG ARG 55 -18.294 20.928 -5.158 443 1HD ARG 55 2HD ARG 55 -17.573 18.939 -7.304 444 2HD ARG 55 1HD ARG 55 -18.192 20.569 -7.568 445 HE ARG 55 HE ARG 55 -15.887 20.743 -5.993 446 1HH1 ARG 55 1HH1 ARG 55 -16.824 19.870 -9.233 447 2HH1 ARG 55 2HH1 ARG 55 -15.309 20.330 -9.933 448 1HH2 ARG 55 1HH2 ARG 55 -13.889 21.351 -6.906 449 2HH2 ARG 55 2HH2 ARG 55 -13.640 21.172 -8.611 450 H LYS 56 H LYS 56 -19.777 20.790 -3.585 451 HA LYS 56 HA LYS 56 -20.123 22.890 -2.790 452 1HB LYS 56 1HB LYS 56 -18.949 21.711 -0.265 453 2HB LYS 56 2HB LYS 56 -19.845 23.219 -0.363 454 1HG LYS 56 2HG LYS 56 -21.829 22.000 -1.097 455 2HG LYS 56 1HG LYS 56 -20.929 20.484 -0.998 456 1HD LYS 56 1HD LYS 56 -20.591 20.843 1.400 457 2HD LYS 56 2HD LYS 56 -21.495 22.356 1.301 458 1HE LYS 56 1HE LYS 56 -22.898 20.557 2.152 459 2HE LYS 56 2HE LYS 56 -23.483 21.132 0.591 460 1HZ LYS 56 1HZ LYS 56 -23.558 18.890 0.273 461 2HZ LYS 56 2HZ LYS 56 -22.236 18.572 1.279 462 3HZ LYS 56 3HZ LYS 56 -21.985 19.190 -0.275 463 H LEU 57 H LEU 57 -17.831 22.631 -4.281 464 HA LEU 57 HA LEU 57 -15.891 23.680 -4.816 465 1HB LEU 57 2HB LEU 57 -17.240 25.680 -4.405 466 2HB LEU 57 1HB LEU 57 -16.818 25.629 -2.706 467 HG LEU 57 HG LEU 57 -14.451 26.030 -3.298 468 1HD1 LEU 57 1HD1 LEU 57 -13.672 25.942 -5.383 469 2HD1 LEU 57 2HD1 LEU 57 -14.973 26.964 -5.995 470 3HD1 LEU 57 3HD1 LEU 57 -15.222 25.227 -5.828 471 1HD2 LEU 57 1HD2 LEU 57 -16.072 28.169 -4.616 472 2HD2 LEU 57 2HD2 LEU 57 -14.681 28.319 -3.544 473 3HD2 LEU 57 3HD2 LEU 57 -16.250 27.847 -2.891 474 H SER 1 1HT SER 1 -10.977 -7.740 0.297 475 HA SER 1 HA SER 1 -11.960 -10.242 0.077 476 1HB SER 1 2HB SER 1 -14.182 -9.335 -0.429 477 2HB SER 1 1HB SER 1 -13.507 -8.384 -1.752 478 HG SER 1 HG SER 1 -12.969 -10.323 -2.795 479 H GLU 2 H GLU 2 -11.032 -7.349 -1.702 480 HA GLU 2 HA GLU 2 -9.698 -8.776 -3.795 481 1HB GLU 2 2HB GLU 2 -10.654 -6.558 -4.183 482 2HB GLU 2 1HB GLU 2 -9.553 -5.865 -3.000 483 1HG GLU 2 2HG GLU 2 -7.653 -6.471 -4.402 484 2HG GLU 2 1HG GLU 2 -8.750 -7.185 -5.584 485 H ALA 3 H ALA 3 -8.780 -7.405 -0.716 486 HA ALA 3 HA ALA 3 -5.944 -7.578 -1.201 487 1HB ALA 3 1HB ALA 3 -5.708 -6.929 1.131 488 2HB ALA 3 2HB ALA 3 -7.432 -7.184 1.396 489 3HB ALA 3 3HB ALA 3 -6.886 -5.894 0.325 490 H LEU 4 H LEU 4 -8.419 -9.591 -0.089 491 HA LEU 4 HA LEU 4 -6.760 -11.492 1.286 492 1HB LEU 4 2HB LEU 4 -9.657 -11.581 0.438 493 2HB LEU 4 1HB LEU 4 -8.886 -12.722 1.525 494 HG LEU 4 HG LEU 4 -10.138 -11.237 2.884 495 1HD1 LEU 4 1HD1 LEU 4 -7.859 -9.719 3.538 496 2HD1 LEU 4 2HD1 LEU 4 -7.300 -11.296 2.981 497 3HD1 LEU 4 3HD1 LEU 4 -8.453 -11.189 4.313 498 1HD2 LEU 4 1HD2 LEU 4 -9.944 -9.432 0.880 499 2HD2 LEU 4 2HD2 LEU 4 -8.814 -8.742 2.043 500 3HD2 LEU 4 3HD2 LEU 4 -10.488 -9.042 2.512 501 H LYS 5 H LYS 5 -8.639 -11.302 -1.662 502 HA LYS 5 HA LYS 5 -7.805 -13.876 -2.616 503 1HB LYS 5 2HB LYS 5 -10.049 -13.049 -3.107 504 2HB LYS 5 1HB LYS 5 -9.369 -11.685 -3.986 505 1HG LYS 5 2HG LYS 5 -10.204 -13.543 -5.421 506 2HG LYS 5 1HG LYS 5 -8.512 -13.108 -5.691 507 1HD LYS 5 2HD LYS 5 -7.807 -14.972 -4.275 508 2HD LYS 5 1HD LYS 5 -9.496 -15.411 -4.009 509 1HE LYS 5 2HE LYS 5 -8.486 -16.826 -5.721 510 2HE LYS 5 1HE LYS 5 -9.774 -15.831 -6.399 511 1HZ LYS 5 1HZ LYS 5 -8.311 -15.171 -7.906 512 2HZ LYS 5 2HZ LYS 5 -7.027 -15.929 -7.106 513 3HZ LYS 5 3HZ LYS 5 -7.471 -14.352 -6.684 514 H ILE 6 H ILE 6 -6.665 -10.616 -2.962 515 HA ILE 6 HA ILE 6 -5.414 -10.678 -5.429 516 HB ILE 6 HB ILE 6 -5.435 -8.633 -4.132 517 1HG1 ILE 6 2HG1 ILE 6 -2.594 -9.641 -4.346 518 2HG1 ILE 6 1HG1 ILE 6 -3.552 -9.069 -5.703 519 1HG2 ILE 6 1HG2 ILE 6 -4.469 -8.335 -2.045 520 2HG2 ILE 6 2HG2 ILE 6 -3.444 -9.763 -2.204 521 3HG2 ILE 6 3HG2 ILE 6 -5.177 -9.947 -1.927 522 1HD1 ILE 6 1HD1 ILE 6 -3.751 -7.008 -3.925 523 2HD1 ILE 6 2HD1 ILE 6 -2.612 -7.091 -5.270 524 3HD1 ILE 6 3HD1 ILE 6 -2.108 -7.593 -3.652 525 H LEU 7 H LEU 7 -4.219 -11.571 -2.289 526 HA LEU 7 HA LEU 7 -1.979 -13.003 -3.475 527 1HB LEU 7 2HB LEU 7 -0.787 -12.202 -1.758 528 2HB LEU 7 1HB LEU 7 -2.188 -11.242 -1.321 529 HG LEU 7 HG LEU 7 -2.861 -13.483 -0.053 530 1HD1 LEU 7 1HD1 LEU 7 -0.103 -13.881 -0.812 531 2HD1 LEU 7 2HD1 LEU 7 -1.249 -15.011 -0.091 532 3HD1 LEU 7 3HD1 LEU 7 -0.311 -13.924 0.940 533 1HD2 LEU 7 1HD2 LEU 7 -2.623 -11.261 0.930 534 2HD2 LEU 7 2HD2 LEU 7 -0.869 -11.475 0.988 535 3HD2 LEU 7 3HD2 LEU 7 -1.917 -12.508 1.961 536 H ASN 8 H ASN 8 -5.047 -13.393 -2.283 537 HA ASN 8 HA ASN 8 -6.322 -15.189 -1.690 538 1HB ASN 8 2HB ASN 8 -5.202 -16.155 -3.747 539 2HB ASN 8 1HB ASN 8 -4.028 -16.906 -2.667 540 1HD2 ASN 8 1HD2 ASN 8 -6.935 -16.789 -1.083 541 2HD2 ASN 8 2HD2 ASN 8 -7.517 -18.380 -1.467 542 H ASN 9 H ASN 9 -4.288 -14.007 0.095 543 HA ASN 9 HA ASN 9 -3.607 -14.238 2.245 544 1HB ASN 9 2HB ASN 9 -5.184 -16.818 2.154 545 2HB ASN 9 1HB ASN 9 -4.535 -16.074 3.612 546 1HD2 ASN 9 1HD2 ASN 9 -5.481 -13.603 1.591 547 2HD2 ASN 9 2HD2 ASN 9 -7.068 -13.350 2.215 548 H ILE 10 H ILE 10 -1.654 -14.733 2.953 549 HA ILE 10 HA ILE 10 0.208 -16.214 1.561 550 HB ILE 10 HB ILE 10 1.647 -16.096 3.513 551 1HG1 ILE 10 2HG1 ILE 10 -0.074 -16.629 5.226 552 2HG1 ILE 10 1HG1 ILE 10 0.880 -15.209 5.638 553 1HG2 ILE 10 1HG2 ILE 10 1.756 -14.130 2.346 554 2HG2 ILE 10 2HG2 ILE 10 1.271 -13.542 3.938 555 3HG2 ILE 10 3HG2 ILE 10 0.068 -13.715 2.660 556 1HD1 ILE 10 1HD1 ILE 10 -1.272 -14.141 4.309 557 2HD1 ILE 10 2HD1 ILE 10 -1.060 -14.223 6.059 558 3HD1 ILE 10 3HD1 ILE 10 -1.974 -15.477 5.222 559 H ARG 11 H ARG 11 -2.095 -17.346 3.911 560 HA ARG 11 HA ARG 11 -0.907 -19.666 4.820 561 1HB ARG 11 2HB ARG 11 -3.209 -20.543 5.117 562 2HB ARG 11 1HB ARG 11 -3.007 -18.905 5.722 563 1HG ARG 11 2HG ARG 11 -4.061 -18.026 3.698 564 2HG ARG 11 1HG ARG 11 -4.271 -19.674 3.100 565 1HD ARG 11 2HD ARG 11 -5.676 -20.197 5.032 566 2HD ARG 11 1HD ARG 11 -5.466 -18.552 5.631 567 HE ARG 11 HE ARG 11 -6.484 -18.419 3.029 568 1HH1 ARG 11 1HH1 ARG 11 -7.463 -19.453 6.210 569 2HH1 ARG 11 2HH1 ARG 11 -9.144 -19.138 5.935 570 1HH2 ARG 11 1HH2 ARG 11 -8.694 -18.002 2.659 571 2HH2 ARG 11 2HH2 ARG 11 -9.844 -18.313 3.917 572 H THR 12 H THR 12 -2.899 -19.297 1.883 573 HA THR 12 HA THR 12 -2.328 -22.016 1.078 574 HB THR 12 HB THR 12 -4.540 -20.969 0.614 575 HG1 THR 12 1HG THR 12 -4.583 -21.734 -1.597 576 1HG2 THR 12 1HG2 THR 12 -4.819 -19.289 -1.014 577 2HG2 THR 12 2HG2 THR 12 -3.156 -19.444 -1.577 578 3HG2 THR 12 3HG2 THR 12 -3.490 -18.724 -0.002 579 H LEU 13 H LEU 13 -1.274 -18.771 0.226 580 HA LEU 13 HA LEU 13 0.002 -19.380 -2.188 581 1HB LEU 13 2HB LEU 13 -0.506 -17.088 -1.223 582 2HB LEU 13 1HB LEU 13 0.941 -17.281 -0.250 583 HG LEU 13 HG LEU 13 0.887 -17.321 -3.272 584 1HD1 LEU 13 1HD1 LEU 13 0.335 -15.119 -2.556 585 2HD1 LEU 13 2HD1 LEU 13 2.032 -15.116 -3.033 586 3HD1 LEU 13 3HD1 LEU 13 1.597 -15.141 -1.324 587 1HD2 LEU 13 1HD2 LEU 13 2.725 -18.621 -2.264 588 2HD2 LEU 13 2HD2 LEU 13 3.215 -17.183 -1.362 589 3HD2 LEU 13 3HD2 LEU 13 3.296 -17.188 -3.125 590 H ARG 14 H ARG 14 1.493 -18.997 1.039 591 HA ARG 14 HA ARG 14 4.064 -19.661 0.419 592 1HB ARG 14 2HB ARG 14 3.336 -18.885 2.618 593 2HB ARG 14 1HB ARG 14 2.528 -20.420 2.903 594 1HG ARG 14 2HG ARG 14 4.582 -21.584 3.019 595 2HG ARG 14 1HG ARG 14 5.480 -20.192 2.409 596 1HD ARG 14 2HD ARG 14 4.806 -18.931 4.419 597 2HD ARG 14 1HD ARG 14 4.027 -20.386 5.036 598 HE ARG 14 HE ARG 14 6.650 -21.069 4.458 599 1HH1 ARG 14 1HH1 ARG 14 4.972 -18.881 6.578 600 2HH1 ARG 14 2HH1 ARG 14 6.185 -18.940 7.814 601 1HH2 ARG 14 1HH2 ARG 14 8.257 -21.152 6.069 602 2HH2 ARG 14 2HH2 ARG 14 8.056 -20.232 7.523 603 H ALA 15 H ALA 15 1.321 -21.767 0.610 604 HA ALA 15 HA ALA 15 2.905 -24.191 0.653 605 1HB ALA 15 1HB ALA 15 0.854 -25.357 0.747 606 2HB ALA 15 2HB ALA 15 -0.044 -23.955 0.164 607 3HB ALA 15 3HB ALA 15 0.674 -23.936 1.775 608 H GLN 16 H GLN 16 0.678 -22.621 -1.645 609 HA GLN 16 HA GLN 16 1.064 -24.502 -3.718 610 1HB GLN 16 2HB GLN 16 0.047 -22.807 -5.188 611 2HB GLN 16 1HB GLN 16 -0.860 -22.986 -3.691 612 1HG GLN 16 2HG GLN 16 0.241 -20.985 -2.804 613 2HG GLN 16 1HG GLN 16 1.103 -20.795 -4.329 614 1HE2 GLN 16 2HE2 GLN 16 -1.401 -19.668 -2.610 615 2HE2 GLN 16 1HE2 GLN 16 -2.433 -19.108 -3.888 616 H ALA 17 H ALA 17 2.718 -21.643 -2.739 617 HA ALA 17 HA ALA 17 4.461 -21.571 -5.043 618 1HB ALA 17 1HB ALA 17 5.579 -19.793 -3.430 619 2HB ALA 17 2HB ALA 17 3.980 -19.850 -2.682 620 3HB ALA 17 3HB ALA 17 4.144 -19.421 -4.385 621 H ARG 18 H ARG 18 4.353 -22.897 -1.870 622 HA ARG 18 HA ARG 18 6.936 -23.077 -1.033 623 1HB ARG 18 2HB ARG 18 5.001 -24.058 0.133 624 2HB ARG 18 1HB ARG 18 4.921 -25.330 -1.075 625 1HG ARG 18 2HG ARG 18 7.089 -26.159 -0.381 626 2HG ARG 18 1HG ARG 18 7.225 -24.852 0.800 627 1HD ARG 18 2HD ARG 18 5.215 -25.670 1.924 628 2HD ARG 18 1HD ARG 18 5.096 -26.982 0.754 629 HE ARG 18 HE ARG 18 6.683 -26.971 3.076 630 1HH1 ARG 18 1HH1 ARG 18 6.844 -27.890 -0.284 631 2HH1 ARG 18 2HH1 ARG 18 8.025 -29.129 -0.019 632 1HH2 ARG 18 1HH2 ARG 18 8.233 -28.600 3.430 633 2HH2 ARG 18 2HH2 ARG 18 8.814 -29.533 2.090 634 H GLU 19 H GLU 19 5.459 -24.694 -3.742 635 HA GLU 19 HA GLU 19 7.867 -26.278 -4.233 636 1HB GLU 19 2HB GLU 19 6.546 -27.336 -6.025 637 2HB GLU 19 1HB GLU 19 5.749 -27.438 -4.461 638 1HG GLU 19 2HG GLU 19 4.297 -25.575 -5.076 639 2HG GLU 19 1HG GLU 19 5.098 -25.467 -6.643 640 H SER 20 H SER 20 8.076 -23.411 -4.507 641 HA SER 20 HA SER 20 9.308 -23.312 -7.070 642 1HB SER 20 2HB SER 20 7.909 -21.541 -8.069 643 2HB SER 20 1HB SER 20 6.997 -23.029 -7.824 644 HG SER 20 HG SER 20 6.992 -21.020 -5.856 645 H THR 21 H THR 21 9.277 -20.554 -7.498 646 HA THR 21 HA THR 21 11.031 -19.678 -5.352 647 HB THR 21 HB THR 21 10.379 -18.367 -8.001 648 HG1 THR 21 1HG THR 21 12.026 -19.484 -8.780 649 1HG2 THR 21 1HG2 THR 21 11.148 -16.608 -6.677 650 2HG2 THR 21 2HG2 THR 21 12.625 -17.194 -7.441 651 3HG2 THR 21 3HG2 THR 21 12.257 -17.642 -5.776 652 H LEU 22 H LEU 22 10.840 -17.572 -4.367 653 HA LEU 22 HA LEU 22 8.278 -17.003 -3.412 654 1HB LEU 22 1HB LEU 22 9.287 -15.572 -2.003 655 2HB LEU 22 2HB LEU 22 10.749 -16.349 -2.580 656 HG LEU 22 HG LEU 22 9.643 -13.795 -3.743 657 1HD1 LEU 22 1HD1 LEU 22 10.220 -13.456 -1.409 658 2HD1 LEU 22 2HD1 LEU 22 11.394 -12.663 -2.463 659 3HD1 LEU 22 3HD1 LEU 22 11.804 -14.191 -1.680 660 1HD2 LEU 22 1HD2 LEU 22 11.325 -15.443 -4.956 661 2HD2 LEU 22 2HD2 LEU 22 12.486 -14.582 -3.945 662 3HD2 LEU 22 3HD2 LEU 22 11.463 -13.688 -5.072 663 H GLU 23 H GLU 23 9.711 -16.240 -6.364 664 HA GLU 23 HA GLU 23 9.026 -13.752 -7.103 665 1HB GLU 23 2HB GLU 23 9.968 -15.419 -8.643 666 2HB GLU 23 1HB GLU 23 8.417 -16.241 -8.711 667 1HG GLU 23 2HG GLU 23 7.410 -14.264 -9.729 668 2HG GLU 23 1HG GLU 23 8.965 -13.438 -9.662 669 H THR 24 H THR 24 6.811 -16.258 -6.202 670 HA THR 24 HA THR 24 4.424 -15.430 -7.329 671 HB THR 24 HB THR 24 3.292 -16.395 -5.362 672 HG1 THR 24 1HG THR 24 5.449 -17.333 -4.057 673 1HG2 THR 24 1HG2 THR 24 3.796 -18.545 -5.918 674 2HG2 THR 24 2HG2 THR 24 5.537 -18.280 -5.801 675 3HG2 THR 24 3HG2 THR 24 4.655 -17.732 -7.227 676 H LEU 25 H LEU 25 6.132 -14.182 -4.493 677 HA LEU 25 HA LEU 25 4.118 -12.320 -3.799 678 1HB LEU 25 2HB LEU 25 6.011 -11.176 -2.521 679 2HB LEU 25 1HB LEU 25 5.514 -12.771 -2.017 680 HG LEU 25 HG LEU 25 7.508 -13.717 -3.177 681 1HD1 LEU 25 1HD2 LEU 25 9.140 -11.420 -3.276 682 2HD1 LEU 25 2HD2 LEU 25 7.701 -11.073 -4.231 683 3HD1 LEU 25 3HD2 LEU 25 8.683 -12.496 -4.599 684 1HD2 LEU 25 1HD1 LEU 25 7.434 -12.037 -0.812 685 2HD2 LEU 25 2HD1 LEU 25 9.050 -12.160 -1.506 686 3HD2 LEU 25 3HD1 LEU 25 8.170 -13.621 -1.056 687 H GLU 26 H GLU 26 7.086 -12.105 -5.742 688 HA GLU 26 HA GLU 26 6.917 -9.354 -6.233 689 1HB GLU 26 1HB GLU 26 8.925 -10.470 -6.863 690 2HB GLU 26 2HB GLU 26 8.057 -11.605 -7.894 691 1HG GLU 26 2HG GLU 26 7.508 -9.803 -9.434 692 2HG GLU 26 1HG GLU 26 8.328 -8.646 -8.387 693 H GLU 27 H GLU 27 5.063 -12.033 -7.285 694 HA GLU 27 HA GLU 27 3.851 -10.638 -9.518 695 1HB GLU 27 1HB GLU 27 4.173 -13.066 -9.634 696 2HB GLU 27 2HB GLU 27 3.148 -13.277 -8.221 697 1HG GLU 27 2HG GLU 27 1.940 -13.801 -10.252 698 2HG GLU 27 1HG GLU 27 1.245 -12.387 -9.459 699 H MET 28 H MET 28 2.726 -11.920 -6.389 700 HA MET 28 HA MET 28 0.298 -10.347 -6.564 701 1HB MET 28 2HB MET 28 1.224 -12.299 -4.456 702 2HB MET 28 1HB MET 28 -0.361 -11.540 -4.510 703 1HG MET 28 1HG MET 28 -0.827 -12.640 -6.632 704 2HG MET 28 2HG MET 28 0.771 -13.385 -6.601 705 1HE MET 28 1HE MET 28 -0.380 -16.151 -6.631 706 2HE MET 28 2HE MET 28 -1.513 -14.936 -7.221 707 3HE MET 28 3HE MET 28 -2.037 -16.123 -6.027 708 H LEU 29 H LEU 29 3.079 -10.632 -4.387 709 HA LEU 29 HA LEU 29 2.312 -8.662 -2.519 710 1HB LEU 29 2HB LEU 29 3.980 -10.178 -1.880 711 2HB LEU 29 1HB LEU 29 4.948 -9.882 -3.302 712 HG LEU 29 HG LEU 29 5.324 -7.526 -2.324 713 1HD1 LEU 29 1HD1 LEU 29 4.816 -8.778 0.316 714 2HD1 LEU 29 2HD1 LEU 29 3.443 -8.112 -0.567 715 3HD1 LEU 29 3HD1 LEU 29 4.811 -7.079 -0.153 716 1HD2 LEU 29 1HD2 LEU 29 7.134 -9.022 -2.411 717 2HD2 LEU 29 2HD2 LEU 29 6.430 -10.075 -1.183 718 3HD2 LEU 29 3HD2 LEU 29 7.058 -8.490 -0.730 719 H GLU 30 H GLU 30 4.193 -8.389 -5.524 720 HA GLU 30 HA GLU 30 4.936 -5.689 -5.200 721 1HB GLU 30 2HB GLU 30 6.038 -7.010 -6.876 722 2HB GLU 30 1HB GLU 30 4.516 -7.342 -7.692 723 1HG GLU 30 2HG GLU 30 4.317 -4.977 -8.278 724 2HG GLU 30 1HG GLU 30 5.852 -4.654 -7.473 725 H LYS 31 H LYS 31 2.034 -7.208 -6.431 726 HA LYS 31 HA LYS 31 0.916 -4.684 -7.325 727 1HB LYS 31 2HB LYS 31 -0.528 -7.321 -7.147 728 2HB LYS 31 1HB LYS 31 -0.876 -5.955 -8.204 729 1HG LYS 31 1HG LYS 31 1.548 -7.727 -8.340 730 2HG LYS 31 2HG LYS 31 0.162 -7.778 -9.433 731 1HD LYS 31 2HD LYS 31 0.669 -5.561 -10.244 732 2HD LYS 31 1HD LYS 31 1.960 -5.384 -9.050 733 1HE LYS 31 2HE LYS 31 3.198 -7.199 -10.096 734 2HE LYS 31 1HE LYS 31 1.900 -7.424 -11.272 735 1HZ LYS 31 1HZ LYS 31 2.538 -5.630 -12.450 736 2HZ LYS 31 2HZ LYS 31 4.038 -5.924 -11.729 737 3HZ LYS 31 3HZ LYS 31 3.011 -4.744 -11.089 738 H LEU 32 H LEU 32 0.877 -6.787 -4.631 739 HA LEU 32 HA LEU 32 -1.499 -5.835 -3.398 740 1HB LEU 32 2HB LEU 32 -0.484 -7.989 -2.849 741 2HB LEU 32 1HB LEU 32 0.930 -7.167 -2.217 742 HG LEU 32 HG LEU 32 -0.482 -6.144 -0.456 743 1HD1 LEU 32 1HD1 LEU 32 -2.742 -6.418 -0.289 744 2HD1 LEU 32 2HD1 LEU 32 -2.737 -7.950 -1.162 745 3HD1 LEU 32 3HD1 LEU 32 -2.568 -6.433 -2.044 746 1HD2 LEU 32 1HD2 LEU 32 -0.868 -9.126 -0.579 747 2HD2 LEU 32 2HD2 LEU 32 -0.782 -8.112 0.860 748 3HD2 LEU 32 3HD2 LEU 32 0.649 -8.340 -0.143 749 H GLU 33 H GLU 33 1.752 -4.739 -3.692 750 HA GLU 33 HA GLU 33 1.468 -2.849 -1.498 751 1HB GLU 33 2HB GLU 33 3.728 -2.371 -1.715 752 2HB GLU 33 1HB GLU 33 3.650 -4.064 -2.163 753 1HG GLU 33 2HG GLU 33 5.089 -3.137 -3.726 754 2HG GLU 33 1HG GLU 33 3.553 -3.225 -4.582 755 H VAL 34 H VAL 34 1.383 -2.927 -5.021 756 HA VAL 34 HA VAL 34 1.249 -0.093 -5.349 757 HB VAL 34 HB VAL 34 0.614 -0.453 -7.620 758 1HG1 VAL 34 1HG1 VAL 34 2.817 -0.858 -7.737 759 2HG1 VAL 34 2HG1 VAL 34 2.291 -2.495 -8.128 760 3HG1 VAL 34 3HG1 VAL 34 2.768 -2.093 -6.479 761 1HG2 VAL 34 1HG2 VAL 34 0.056 -3.314 -6.870 762 2HG2 VAL 34 2HG2 VAL 34 0.054 -2.680 -8.514 763 3HG2 VAL 34 3HG2 VAL 34 -1.127 -2.096 -7.341 764 H VAL 35 H VAL 35 -1.098 -2.679 -4.894 765 HA VAL 35 HA VAL 35 -3.426 -1.208 -5.457 766 HB VAL 35 HB VAL 35 -3.546 -3.636 -5.190 767 1HG1 VAL 35 1HG1 VAL 35 -2.113 -3.136 -2.789 768 2HG1 VAL 35 2HG1 VAL 35 -2.512 -4.681 -3.538 769 3HG1 VAL 35 3HG1 VAL 35 -3.624 -3.949 -2.383 770 1HG2 VAL 35 1HG2 VAL 35 -5.302 -1.770 -3.936 771 2HG2 VAL 35 2HG2 VAL 35 -5.284 -3.270 -3.007 772 3HG2 VAL 35 3HG2 VAL 35 -5.686 -3.300 -4.725 773 H VAL 36 H VAL 36 -1.716 -1.803 -2.391 774 HA VAL 36 HA VAL 36 -3.364 0.074 -0.980 775 HB VAL 36 HB VAL 36 -2.270 -1.819 0.194 776 1HG1 VAL 36 1HG1 VAL 36 -0.131 -2.133 -0.482 777 2HG1 VAL 36 2HG1 VAL 36 0.175 -1.120 0.929 778 3HG1 VAL 36 3HG1 VAL 36 0.164 -0.407 -0.685 779 1HG2 VAL 36 1HG2 VAL 36 -1.179 0.107 1.882 780 2HG2 VAL 36 2HG2 VAL 36 -2.810 -0.563 1.925 781 3HG2 VAL 36 3HG2 VAL 36 -2.489 0.910 1.008 782 H ASN 37 H ASN 37 -0.608 0.245 -2.984 783 HA ASN 37 HA ASN 37 0.730 2.482 -1.954 784 1HB ASN 37 2HB ASN 37 1.452 1.007 -3.890 785 2HB ASN 37 1HB ASN 37 0.297 1.879 -4.890 786 1HD2 ASN 37 2HD2 ASN 37 3.406 1.625 -4.345 787 2HD2 ASN 37 1HD2 ASN 37 3.934 3.258 -4.609 788 H GLU 38 H GLU 38 -1.929 2.228 -4.260 789 HA GLU 38 HA GLU 38 -2.318 5.032 -4.543 790 1HB GLU 38 2HB GLU 38 -4.261 2.760 -5.014 791 2HB GLU 38 1HB GLU 38 -4.477 4.415 -5.563 792 1HG GLU 38 2HG GLU 38 -2.496 4.208 -6.974 793 2HG GLU 38 1HG GLU 38 -2.278 2.548 -6.422 794 H ARG 39 H ARG 39 -3.758 2.519 -2.538 795 HA ARG 39 HA ARG 39 -5.661 4.182 -1.238 796 1HB ARG 39 2HB ARG 39 -4.500 1.487 -0.641 797 2HB ARG 39 1HB ARG 39 -5.543 2.291 0.507 798 1HG ARG 39 1HG ARG 39 -6.814 0.738 -0.802 799 2HG ARG 39 2HG ARG 39 -7.307 2.384 -1.189 800 1HD ARG 39 1HD ARG 39 -5.599 2.197 -3.111 801 2HD ARG 39 2HD ARG 39 -5.709 0.459 -2.817 802 HE ARG 39 HE ARG 39 -7.638 0.508 -4.010 803 1HH1 ARG 39 1HH1 ARG 39 -7.285 3.591 -2.413 804 2HH1 ARG 39 2HH1 ARG 39 -8.752 4.241 -3.067 805 1HH2 ARG 39 1HH2 ARG 39 -9.569 1.364 -4.875 806 2HH2 ARG 39 2HH2 ARG 39 -10.047 2.977 -4.465 807 H ARG 40 H ARG 40 -2.337 3.423 -0.664 808 HA ARG 40 HA ARG 40 -2.159 4.248 2.023 809 1HB ARG 40 2HB ARG 40 -0.316 3.471 -0.126 810 2HB ARG 40 1HB ARG 40 0.368 4.646 0.993 811 1HG ARG 40 2HG ARG 40 -0.846 1.998 1.784 812 2HG ARG 40 1HG ARG 40 0.886 2.297 1.567 813 1HD ARG 40 1HD ARG 40 0.391 2.426 3.903 814 2HD ARG 40 2HD ARG 40 0.733 4.055 3.325 815 HE ARG 40 HE ARG 40 -2.039 3.599 3.226 816 1HH1 ARG 40 1HH1 ARG 40 0.532 4.056 5.532 817 2HH1 ARG 40 2HH1 ARG 40 -0.502 4.739 6.743 818 1HH2 ARG 40 1HH2 ARG 40 -3.405 4.499 4.811 819 2HH2 ARG 40 2HH2 ARG 40 -2.740 4.992 6.333 820 H GLU 41 H GLU 41 -1.598 5.903 -1.043 821 HA GLU 41 HA GLU 41 -0.965 8.400 0.277 822 1HB GLU 41 2HB GLU 41 -0.769 9.295 -2.010 823 2HB GLU 41 1HB GLU 41 0.192 7.841 -1.776 824 1HG GLU 41 2HG GLU 41 -1.527 6.522 -2.899 825 2HG GLU 41 1HG GLU 41 -2.491 7.979 -3.133 826 H GLU 42 H GLU 42 -3.796 6.937 -1.182 827 HA GLU 42 HA GLU 42 -5.221 9.457 -1.306 828 1HB GLU 42 2HB GLU 42 -6.086 6.631 -1.909 829 2HB GLU 42 1HB GLU 42 -7.129 8.036 -2.081 830 1HG GLU 42 1HG GLU 42 -5.593 8.976 -3.731 831 2HG GLU 42 2HG GLU 42 -4.549 7.565 -3.559 832 H GLU 43 H GLU 43 -5.282 6.537 0.671 833 HA GLU 43 HA GLU 43 -7.592 7.158 2.137 834 1HB GLU 43 2HB GLU 43 -5.252 5.374 2.601 835 2HB GLU 43 1HB GLU 43 -6.383 5.669 3.920 836 1HG GLU 43 2HG GLU 43 -7.233 4.737 1.200 837 2HG GLU 43 1HG GLU 43 -6.839 3.633 2.514 838 H SER 44 H SER 44 -4.165 7.853 2.765 839 HA SER 44 HA SER 44 -4.483 9.099 5.255 840 1HB SER 44 2HB SER 44 -2.263 8.559 4.313 841 2HB SER 44 1HB SER 44 -2.502 9.772 3.053 842 HG SER 44 HG SER 44 -2.930 10.944 5.388 843 H ALA 45 H ALA 45 -4.988 10.123 1.988 844 HA ALA 45 HA ALA 45 -5.390 12.896 2.462 845 1HB ALA 45 1HB ALA 45 -5.707 10.997 0.231 846 2HB ALA 45 2HB ALA 45 -5.018 12.625 0.251 847 3HB ALA 45 3HB ALA 45 -6.768 12.409 0.183 848 H ALA 46 H ALA 46 -7.552 10.100 2.160 849 HA ALA 46 HA ALA 46 -9.991 11.478 2.372 850 1HB ALA 46 1HB ALA 46 -10.975 9.314 2.882 851 2HB ALA 46 2HB ALA 46 -9.378 8.644 3.218 852 3HB ALA 46 3HB ALA 46 -9.795 9.154 1.581 853 H ALA 47 H ALA 47 -7.834 10.109 4.805 854 HA ALA 47 HA ALA 47 -9.516 10.456 7.036 855 1HB ALA 47 1HB ALA 47 -6.714 9.796 6.560 856 2HB ALA 47 2HB ALA 47 -7.839 9.170 7.764 857 3HB ALA 47 3HB ALA 47 -6.984 10.684 8.059 858 H ALA 48 H ALA 48 -7.038 12.546 5.602 859 HA ALA 48 HA ALA 48 -7.217 14.596 7.547 860 1HB ALA 48 1HB ALA 48 -6.246 14.678 4.695 861 2HB ALA 48 2HB ALA 48 -5.271 14.427 6.141 862 3HB ALA 48 3HB ALA 48 -6.046 15.985 5.861 863 H GLU 49 H GLU 49 -8.802 14.081 4.434 864 HA GLU 49 HA GLU 49 -10.122 16.558 4.274 865 1HB GLU 49 2HB GLU 49 -9.869 15.079 2.348 866 2HB GLU 49 1HB GLU 49 -10.897 13.876 3.115 867 1HG GLU 49 1HG GLU 49 -12.155 15.051 1.450 868 2HG GLU 49 2HG GLU 49 -12.768 15.477 3.046 869 H VAL 50 H VAL 50 -11.239 13.407 5.505 870 HA VAL 50 HA VAL 50 -13.823 14.306 6.224 871 HB VAL 50 HB VAL 50 -13.999 12.258 7.563 872 1HG1 VAL 50 1HG1 VAL 50 -12.692 11.861 4.874 873 2HG1 VAL 50 2HG1 VAL 50 -14.409 12.126 5.179 874 3HG1 VAL 50 3HG1 VAL 50 -13.632 10.648 5.741 875 1HG2 VAL 50 1HG2 VAL 50 -11.837 12.097 8.552 876 2HG2 VAL 50 2HG2 VAL 50 -11.058 11.996 6.972 877 3HG2 VAL 50 3HG2 VAL 50 -12.065 10.666 7.546 878 H GLU 51 H GLU 51 -10.774 14.143 7.992 879 HA GLU 51 HA GLU 51 -10.104 15.023 9.974 880 1HB GLU 51 1HB GLU 51 -10.935 17.110 8.900 881 2HB GLU 51 2HB GLU 51 -12.500 16.840 9.654 882 1HG GLU 51 2HG GLU 51 -11.468 17.016 11.862 883 2HG GLU 51 1HG GLU 51 -9.900 17.288 11.105 884 H GLU 52 H GLU 52 -13.017 16.169 11.248 885 HA GLU 52 HA GLU 52 -14.068 13.751 12.307 886 1HB GLU 52 2HB GLU 52 -12.012 13.831 13.635 887 2HB GLU 52 1HB GLU 52 -12.407 15.459 14.171 888 1HG GLU 52 2HG GLU 52 -12.925 13.902 15.914 889 2HG GLU 52 1HG GLU 52 -14.423 14.575 15.275 890 H ARG 53 H ARG 53 -13.636 17.222 12.948 891 HA ARG 53 HA ARG 53 -16.114 17.589 14.252 892 1HB ARG 53 1HB ARG 53 -14.277 19.195 14.452 893 2HB ARG 53 2HB ARG 53 -14.418 19.586 12.743 894 1HG ARG 53 1HG ARG 53 -16.656 20.478 13.122 895 2HG ARG 53 2HG ARG 53 -16.529 20.071 14.834 896 1HD ARG 53 1HD ARG 53 -14.750 21.992 13.340 897 2HD ARG 53 2HD ARG 53 -16.058 22.438 14.433 898 HE ARG 53 HE ARG 53 -14.287 20.768 15.811 899 1HH1 ARG 53 1HH1 ARG 53 -14.380 23.957 14.408 900 2HH1 ARG 53 2HH1 ARG 53 -13.228 24.619 15.520 901 1HH2 ARG 53 1HH2 ARG 53 -12.772 21.632 17.278 902 2HH2 ARG 53 2HH2 ARG 53 -12.314 23.298 17.151 903 H THR 54 H THR 54 -15.112 18.150 10.887 904 HA THR 54 HA THR 54 -17.656 19.017 9.991 905 HB THR 54 HB THR 54 -16.790 18.643 7.717 906 HG1 THR 54 1HG THR 54 -14.726 17.320 9.142 907 1HG2 THR 54 1HG2 THR 54 -14.453 19.905 8.290 908 2HG2 THR 54 2HG2 THR 54 -15.360 20.178 9.778 909 3HG2 THR 54 3HG2 THR 54 -16.026 20.702 8.230 910 H ARG 55 H ARG 55 -19.361 17.935 9.151 911 HA ARG 55 HA ARG 55 -19.316 15.291 8.192 912 1HB ARG 55 2HB ARG 55 -20.574 14.187 10.024 913 2HB ARG 55 1HB ARG 55 -18.941 14.643 10.488 914 1HG ARG 55 2HG ARG 55 -19.872 16.666 11.582 915 2HG ARG 55 1HG ARG 55 -21.492 16.068 11.213 916 1HD ARG 55 2HD ARG 55 -19.423 14.667 12.897 917 2HD ARG 55 1HD ARG 55 -20.844 15.518 13.499 918 HE ARG 55 HE ARG 55 -21.688 13.566 11.682 919 1HH1 ARG 55 1HH1 ARG 55 -20.222 13.797 14.834 920 2HH1 ARG 55 2HH1 ARG 55 -20.883 12.296 15.392 921 1HH2 ARG 55 1HH2 ARG 55 -22.560 11.588 12.408 922 2HH2 ARG 55 2HH2 ARG 55 -22.212 11.041 14.013 923 H LYS 56 H LYS 56 -21.266 17.737 9.848 924 HA LYS 56 HA LYS 56 -23.338 18.580 9.453 925 1HB LYS 56 1HB LYS 56 -22.764 17.634 6.640 926 2HB LYS 56 2HB LYS 56 -24.034 18.759 7.097 927 1HG LYS 56 2HG LYS 56 -22.352 20.346 7.881 928 2HG LYS 56 1HG LYS 56 -21.077 19.216 7.422 929 1HD LYS 56 1HD LYS 56 -21.810 19.339 5.089 930 2HD LYS 56 2HD LYS 56 -23.084 20.472 5.550 931 1HE LYS 56 1HE LYS 56 -21.165 21.649 4.614 932 2HE LYS 56 2HE LYS 56 -21.400 22.067 6.310 933 1HZ LYS 56 1HZ LYS 56 -19.167 21.685 6.271 934 2HZ LYS 56 2HZ LYS 56 -19.257 20.506 5.061 935 3HZ LYS 56 3HZ LYS 56 -19.703 20.124 6.647 936 H LEU 57 H LEU 57 -23.353 16.068 10.567 937 HA LEU 57 HA LEU 57 -24.693 14.287 11.003 938 1HB LEU 57 2HB LEU 57 -26.415 16.023 11.100 939 2HB LEU 57 1HB LEU 57 -26.675 15.878 9.373 940 HG LEU 57 HG LEU 57 -27.464 13.558 9.705 941 1HD1 LEU 57 1HD1 LEU 57 -27.260 12.450 11.626 942 2HD1 LEU 57 2HD1 LEU 57 -27.909 13.799 12.560 943 3HD1 LEU 57 3HD1 LEU 57 -26.194 13.755 12.151 944 1HD2 LEU 57 1HD2 LEU 57 -29.038 15.303 11.552 945 2HD2 LEU 57 2HD2 LEU 57 -29.607 14.154 10.342 946 3HD2 LEU 57 3HD2 LEU 57 -28.918 15.696 9.836 Start of MODEL 2 1 H SER 1 1HT SER 1 5.066 6.870 1.686 2 HA SER 1 HA SER 1 4.522 4.857 -0.405 3 1HB SER 1 2HB SER 1 6.991 4.895 -0.577 4 2HB SER 1 1HB SER 1 6.298 6.498 -0.824 5 HG SER 1 HG SER 1 7.160 7.171 1.003 6 H GLU 2 H GLU 2 3.507 4.349 2.175 7 HA GLU 2 HA GLU 2 5.394 2.745 3.635 8 1HB GLU 2 2HB GLU 2 3.586 3.966 4.778 9 2HB GLU 2 1HB GLU 2 2.396 2.974 3.947 10 1HG GLU 2 1HG GLU 2 3.131 1.011 5.091 11 2HG GLU 2 2HG GLU 2 4.503 1.872 5.788 12 H ALA 3 H ALA 3 3.064 2.244 1.133 13 HA ALA 3 HA ALA 3 2.812 -0.600 1.462 14 1HB ALA 3 1HB ALA 3 1.077 0.769 0.356 15 2HB ALA 3 2HB ALA 3 1.652 -0.548 -0.667 16 3HB ALA 3 3HB ALA 3 2.206 1.100 -0.959 17 H LEU 4 H LEU 4 5.009 1.542 0.043 18 HA LEU 4 HA LEU 4 6.230 -0.330 -1.768 19 1HB LEU 4 2HB LEU 4 6.929 2.452 -0.832 20 2HB LEU 4 1HB LEU 4 7.851 1.576 -2.040 21 HG LEU 4 HG LEU 4 6.127 1.749 -3.641 22 1HD1 LEU 4 1HD2 LEU 4 3.885 2.762 -3.029 23 2HD1 LEU 4 2HD2 LEU 4 4.315 2.460 -1.345 24 3HD1 LEU 4 3HD2 LEU 4 4.175 1.114 -2.476 25 1HD2 LEU 4 1HD1 LEU 4 6.716 3.861 -3.945 26 2HD2 LEU 4 2HD1 LEU 4 6.997 4.073 -2.215 27 3HD2 LEU 4 3HD1 LEU 4 5.386 4.337 -2.886 28 H LYS 5 H LYS 5 6.956 1.255 1.283 29 HA LYS 5 HA LYS 5 9.451 -0.099 1.676 30 1HB LYS 5 2HB LYS 5 9.156 2.167 2.497 31 2HB LYS 5 1HB LYS 5 7.822 1.646 3.520 32 1HG LYS 5 1HG LYS 5 10.036 1.977 4.658 33 2HG LYS 5 2HG LYS 5 9.254 0.418 4.932 34 1HD LYS 5 1HD LYS 5 10.674 -0.608 3.252 35 2HD LYS 5 2HD LYS 5 11.431 0.953 2.915 36 1HE LYS 5 2HE LYS 5 12.230 1.038 5.252 37 2HE LYS 5 1HE LYS 5 11.539 -0.561 5.523 38 1HZ LYS 5 1HZ LYS 5 13.324 -0.367 3.255 39 2HZ LYS 5 2HZ LYS 5 13.218 -1.557 4.454 40 3HZ LYS 5 3HZ LYS 5 14.060 -0.122 4.758 41 H ILE 6 H ILE 6 6.140 -0.670 2.535 42 HA ILE 6 HA ILE 6 6.384 -2.228 4.815 43 HB ILE 6 HB ILE 6 4.199 -1.547 3.902 44 1HG1 ILE 6 2HG1 ILE 6 4.309 -3.548 5.382 45 2HG1 ILE 6 1HG1 ILE 6 2.978 -3.570 4.239 46 1HG2 ILE 6 1HG2 ILE 6 4.958 -1.983 1.504 47 2HG2 ILE 6 2HG2 ILE 6 3.279 -2.313 1.927 48 3HG2 ILE 6 3HG2 ILE 6 4.430 -3.642 1.785 49 1HD1 ILE 6 1HD1 ILE 6 5.106 -5.468 4.580 50 2HD1 ILE 6 2HD1 ILE 6 4.942 -4.933 2.907 51 3HD1 ILE 6 3HD1 ILE 6 3.558 -5.631 3.749 52 H LEU 7 H LEU 7 6.249 -3.247 1.458 53 HA LEU 7 HA LEU 7 7.350 -5.835 2.137 54 1HB LEU 7 1HB LEU 7 6.276 -6.594 0.311 55 2HB LEU 7 2HB LEU 7 5.436 -5.055 0.349 56 HG LEU 7 HG LEU 7 7.469 -4.289 -1.162 57 1HD1 LEU 7 1HD1 LEU 7 7.405 -6.755 -2.581 58 2HD1 LEU 7 2HD1 LEU 7 7.930 -7.070 -0.925 59 3HD1 LEU 7 3HD1 LEU 7 8.797 -5.896 -1.914 60 1HD2 LEU 7 1HD2 LEU 7 6.003 -5.384 -3.111 61 2HD2 LEU 7 2HD2 LEU 7 5.484 -3.974 -2.186 62 3HD2 LEU 7 3HD2 LEU 7 4.884 -5.579 -1.763 63 H ASN 8 H ASN 8 8.300 -2.782 1.269 64 HA ASN 8 HA ASN 8 10.312 -1.848 0.704 65 1HB ASN 8 1HB ASN 8 11.107 -3.554 2.424 66 2HB ASN 8 2HB ASN 8 11.541 -4.587 1.065 67 1HD2 ASN 8 2HD2 ASN 8 12.758 -2.531 3.233 68 2HD2 ASN 8 1HD2 ASN 8 14.127 -1.921 2.355 69 H ASN 9 H ASN 9 8.598 -2.902 -1.322 70 HA ASN 9 HA ASN 9 8.520 -3.270 -3.554 71 1HB ASN 9 2HB ASN 9 11.395 -2.342 -3.422 72 2HB ASN 9 1HB ASN 9 10.445 -2.492 -4.897 73 1HD2 ASN 9 1HD2 ASN 9 8.333 -1.512 -2.550 74 2HD2 ASN 9 2HD2 ASN 9 8.424 0.192 -2.798 75 H ILE 10 H ILE 10 8.501 -5.076 -4.696 76 HA ILE 10 HA ILE 10 9.688 -7.449 -3.870 77 HB ILE 10 HB ILE 10 9.064 -8.387 -6.053 78 1HG1 ILE 10 2HG1 ILE 10 9.560 -6.314 -7.386 79 2HG1 ILE 10 1HG1 ILE 10 8.018 -7.070 -7.764 80 1HG2 ILE 10 1HG2 ILE 10 7.294 -8.615 -4.682 81 2HG2 ILE 10 2HG2 ILE 10 6.560 -7.482 -5.822 82 3HG2 ILE 10 3HG2 ILE 10 7.225 -6.894 -4.296 83 1HD1 ILE 10 1HD1 ILE 10 7.644 -4.749 -7.727 84 2HD1 ILE 10 2HD1 ILE 10 8.507 -4.557 -6.202 85 3HD1 ILE 10 3HD1 ILE 10 6.947 -5.382 -6.235 86 H ARG 11 H ARG 11 10.939 -4.973 -5.993 87 HA ARG 11 HA ARG 11 12.893 -6.440 -7.342 88 1HB ARG 11 1HB ARG 11 14.076 -4.249 -7.573 89 2HB ARG 11 2HB ARG 11 12.384 -4.211 -8.050 90 1HG ARG 11 2HG ARG 11 11.811 -3.211 -5.876 91 2HG ARG 11 1HG ARG 11 13.524 -3.204 -5.451 92 1HD ARG 11 2HD ARG 11 12.805 -1.017 -6.264 93 2HD ARG 11 1HD ARG 11 14.007 -1.741 -7.333 94 HE ARG 11 HE ARG 11 11.443 -2.399 -8.267 95 1HH1 ARG 11 1HH1 ARG 11 13.555 0.354 -7.952 96 2HH1 ARG 11 2HH1 ARG 11 12.880 1.190 -9.311 97 1HH2 ARG 11 1HH2 ARG 11 10.548 -1.307 -10.056 98 2HH2 ARG 11 2HH2 ARG 11 11.169 0.246 -10.506 99 H THR 12 H THR 12 13.217 -4.571 -4.321 100 HA THR 12 HA THR 12 15.886 -5.471 -3.834 101 HB THR 12 HB THR 12 13.897 -4.158 -1.968 102 HG1 THR 12 1HG THR 12 15.951 -2.596 -2.628 103 1HG2 THR 12 1HG2 THR 12 15.791 -3.668 -0.534 104 2HG2 THR 12 2HG2 THR 12 16.881 -4.493 -1.647 105 3HG2 THR 12 3HG2 THR 12 15.657 -5.411 -0.769 106 H LEU 13 H LEU 13 12.683 -6.475 -2.878 107 HA LEU 13 HA LEU 13 13.350 -8.197 -0.782 108 1HB LEU 13 2HB LEU 13 11.102 -7.676 -0.921 109 2HB LEU 13 1HB LEU 13 11.028 -7.996 -2.642 110 HG LEU 13 HG LEU 13 11.095 -10.374 -2.269 111 1HD1 LEU 13 1HD1 LEU 13 11.013 -11.201 0.136 112 2HD1 LEU 13 2HD1 LEU 13 11.629 -9.610 0.584 113 3HD1 LEU 13 3HD1 LEU 13 12.579 -10.658 -0.479 114 1HD2 LEU 13 1HD2 LEU 13 9.068 -8.661 -1.162 115 2HD2 LEU 13 2HD2 LEU 13 9.127 -10.206 -0.314 116 3HD2 LEU 13 3HD2 LEU 13 8.904 -10.168 -2.064 117 H ARG 14 H ARG 14 12.533 -9.110 -4.138 118 HA ARG 14 HA ARG 14 12.988 -11.778 -4.029 119 1HB ARG 14 1HB ARG 14 12.167 -10.516 -5.994 120 2HB ARG 14 2HB ARG 14 13.809 -9.969 -6.301 121 1HG ARG 14 2HG ARG 14 14.538 -12.142 -6.844 122 2HG ARG 14 1HG ARG 14 13.058 -12.871 -6.213 123 1HD ARG 14 2HD ARG 14 11.779 -11.685 -7.957 124 2HD ARG 14 1HD ARG 14 13.295 -11.074 -8.617 125 HE ARG 14 HE ARG 14 13.525 -13.835 -8.494 126 1HH1 ARG 14 1HH1 ARG 14 11.530 -11.487 -10.110 127 2HH1 ARG 14 2HH1 ARG 14 11.267 -12.478 -11.505 128 1HH2 ARG 14 1HH2 ARG 14 13.181 -15.153 -10.321 129 2HH2 ARG 14 2HH2 ARG 14 12.205 -14.564 -11.625 130 H ALA 15 H ALA 15 15.346 -9.277 -3.839 131 HA ALA 15 HA ALA 15 17.592 -11.030 -4.387 132 1HB ALA 15 1HB ALA 15 18.955 -9.117 -4.155 133 2HB ALA 15 2HB ALA 15 17.689 -8.236 -3.301 134 3HB ALA 15 3HB ALA 15 17.508 -8.597 -5.018 135 H GLN 16 H GLN 16 16.358 -9.181 -1.603 136 HA GLN 16 HA GLN 16 18.276 -10.186 0.233 137 1HB GLN 16 1HB GLN 16 16.631 -9.370 1.974 138 2HB GLN 16 2HB GLN 16 17.157 -8.162 0.809 139 1HG GLN 16 2HG GLN 16 15.087 -8.511 -0.458 140 2HG GLN 16 1HG GLN 16 14.556 -9.672 0.755 141 1HE2 GLN 16 2HE2 GLN 16 12.893 -8.725 1.723 142 2HE2 GLN 16 1HE2 GLN 16 12.918 -7.145 2.444 143 H ALA 17 H ALA 17 15.194 -11.271 -0.870 144 HA ALA 17 HA ALA 17 14.996 -13.410 1.069 145 1HB ALA 17 1HB ALA 17 13.229 -12.197 -0.940 146 2HB ALA 17 2HB ALA 17 12.859 -12.847 0.659 147 3HB ALA 17 3HB ALA 17 13.042 -13.938 -0.715 148 H ARG 18 H ARG 18 16.246 -12.836 -2.067 149 HA ARG 18 HA ARG 18 16.042 -15.177 -3.429 150 1HB ARG 18 1HB ARG 18 17.275 -13.192 -4.206 151 2HB ARG 18 2HB ARG 18 18.564 -13.554 -3.069 152 1HG ARG 18 1HG ARG 18 19.069 -15.603 -4.241 153 2HG ARG 18 2HG ARG 18 17.719 -15.327 -5.347 154 1HD ARG 18 1HD ARG 18 18.767 -13.259 -6.107 155 2HD ARG 18 2HD ARG 18 20.113 -13.533 -5.004 156 HE ARG 18 HE ARG 18 21.025 -14.856 -6.611 157 1HH1 ARG 18 1HH1 ARG 18 17.561 -14.895 -7.028 158 2HH1 ARG 18 2HH1 ARG 18 17.612 -15.937 -8.409 159 1HH2 ARG 18 1HH2 ARG 18 21.096 -16.227 -8.428 160 2HH2 ARG 18 2HH2 ARG 18 19.619 -16.694 -9.204 161 H GLU 19 H GLU 19 17.849 -14.581 -0.518 162 HA GLU 19 HA GLU 19 18.951 -17.309 -0.617 163 1HB GLU 19 1HB GLU 19 20.470 -16.563 1.183 164 2HB GLU 19 2HB GLU 19 20.630 -15.599 -0.278 165 1HG GLU 19 1HG GLU 19 19.270 -13.841 0.730 166 2HG GLU 19 2HG GLU 19 19.103 -14.810 2.193 167 H SER 20 H SER 20 16.200 -17.021 -0.044 168 HA SER 20 HA SER 20 16.080 -18.425 2.449 169 1HB SER 20 1HB SER 20 14.798 -15.687 2.285 170 2HB SER 20 2HB SER 20 14.516 -16.857 3.573 171 HG SER 20 HG SER 20 16.131 -15.766 4.424 172 H THR 21 H THR 21 13.415 -18.179 3.047 173 HA THR 21 HA THR 21 12.173 -19.475 0.736 174 HB THR 21 HB THR 21 11.198 -19.352 3.599 175 HG1 THR 21 1HG THR 21 12.750 -21.276 2.191 176 1HG2 THR 21 1HG2 THR 21 10.179 -21.615 2.372 177 2HG2 THR 21 2HG2 THR 21 10.047 -20.370 1.129 178 3HG2 THR 21 3HG2 THR 21 9.296 -20.125 2.707 179 H LEU 22 H LEU 22 9.836 -18.995 0.310 180 HA LEU 22 HA LEU 22 9.434 -16.287 -0.172 181 1HB LEU 22 1HB LEU 22 7.658 -16.962 -1.344 182 2HB LEU 22 2HB LEU 22 8.194 -18.589 -0.967 183 HG LEU 22 HG LEU 22 6.268 -17.107 0.800 184 1HD1 LEU 22 1HD1 LEU 22 5.779 -18.522 -1.768 185 2HD1 LEU 22 2HD1 LEU 22 5.002 -17.084 -1.104 186 3HD1 LEU 22 3HD1 LEU 22 4.598 -18.682 -0.467 187 1HD2 LEU 22 1HD2 LEU 22 6.366 -20.056 0.423 188 2HD2 LEU 22 2HD2 LEU 22 5.857 -19.108 1.823 189 3HD2 LEU 22 3HD2 LEU 22 7.572 -19.270 1.443 190 H GLU 23 H GLU 23 9.088 -18.034 2.717 191 HA GLU 23 HA GLU 23 6.980 -17.034 4.068 192 1HB GLU 23 1HB GLU 23 8.303 -17.143 6.123 193 2HB GLU 23 2HB GLU 23 8.655 -18.516 5.083 194 1HG GLU 23 2HG GLU 23 10.708 -17.438 4.336 195 2HG GLU 23 1HG GLU 23 10.355 -16.049 5.363 196 H THR 24 H THR 24 9.721 -15.235 2.928 197 HA THR 24 HA THR 24 9.624 -12.940 4.480 198 HB THR 24 HB THR 24 11.374 -13.214 2.834 199 HG1 THR 24 1HG THR 24 10.147 -11.006 3.272 200 1HG2 THR 24 1HG2 THR 24 10.803 -12.827 0.392 201 2HG2 THR 24 2HG2 THR 24 9.121 -13.114 0.838 202 3HG2 THR 24 3HG2 THR 24 10.323 -14.384 1.066 203 H LEU 25 H LEU 25 7.661 -13.837 1.659 204 HA LEU 25 HA LEU 25 6.191 -11.416 1.626 205 1HB LEU 25 2HB LEU 25 4.501 -12.789 0.291 206 2HB LEU 25 1HB LEU 25 6.086 -12.525 -0.400 207 HG LEU 25 HG LEU 25 6.720 -14.838 0.329 208 1HD1 LEU 25 1HD2 LEU 25 4.246 -14.683 1.714 209 2HD1 LEU 25 2HD2 LEU 25 5.422 -16.004 1.687 210 3HD1 LEU 25 3HD2 LEU 25 4.120 -15.950 0.494 211 1HD2 LEU 25 1HD1 LEU 25 4.743 -15.758 -1.331 212 2HD2 LEU 25 2HD1 LEU 25 6.286 -15.070 -1.838 213 3HD2 LEU 25 3HD1 LEU 25 4.850 -14.049 -1.750 214 H GLU 26 H GLU 26 5.649 -14.598 3.102 215 HA GLU 26 HA GLU 26 3.083 -14.110 4.062 216 1HB GLU 26 2HB GLU 26 3.995 -16.317 4.230 217 2HB GLU 26 1HB GLU 26 5.340 -15.759 5.219 218 1HG GLU 26 2HG GLU 26 2.481 -15.596 6.125 219 2HG GLU 26 1HG GLU 26 3.489 -17.015 6.396 220 H GLU 27 H GLU 27 6.165 -12.871 4.960 221 HA GLU 27 HA GLU 27 5.256 -11.741 7.469 222 1HB GLU 27 1HB GLU 27 7.822 -11.318 5.923 223 2HB GLU 27 2HB GLU 27 7.497 -10.697 7.535 224 1HG GLU 27 2HG GLU 27 7.299 -12.981 8.376 225 2HG GLU 27 1HG GLU 27 7.632 -13.601 6.759 226 H MET 28 H MET 28 6.228 -10.515 4.268 227 HA MET 28 HA MET 28 5.302 -7.847 4.935 228 1HB MET 28 1HB MET 28 6.400 -8.851 2.310 229 2HB MET 28 2HB MET 28 6.232 -7.175 2.814 230 1HG MET 28 1HG MET 28 8.073 -9.229 4.011 231 2HG MET 28 2HG MET 28 8.531 -7.880 2.973 232 1HE MET 28 1HE MET 28 9.802 -8.432 6.101 233 2HE MET 28 2HE MET 28 10.095 -6.698 6.244 234 3HE MET 28 3HE MET 28 10.320 -7.506 4.691 235 H LEU 29 H LEU 29 4.582 -10.315 2.515 236 HA LEU 29 HA LEU 29 2.501 -9.054 1.149 237 1HB LEU 29 1HB LEU 29 3.660 -11.073 0.394 238 2HB LEU 29 2HB LEU 29 2.950 -11.988 1.706 239 HG LEU 29 HG LEU 29 0.721 -11.687 0.699 240 1HD1 LEU 29 1HD1 LEU 29 1.977 -10.742 -1.825 241 2HD1 LEU 29 2HD1 LEU 29 1.594 -9.555 -0.576 242 3HD1 LEU 29 3HD1 LEU 29 0.317 -10.567 -1.254 243 1HD2 LEU 29 1HD2 LEU 29 2.180 -13.636 0.219 244 2HD2 LEU 29 2HD2 LEU 29 2.747 -12.804 -1.229 245 3HD2 LEU 29 3HD2 LEU 29 1.050 -13.262 -1.083 246 H GLU 30 H GLU 30 2.413 -10.914 4.156 247 HA GLU 30 HA GLU 30 -0.422 -11.064 4.320 248 1HB GLU 30 1HB GLU 30 0.953 -12.609 5.578 249 2HB GLU 30 2HB GLU 30 1.692 -11.283 6.467 250 1HG GLU 30 2HG GLU 30 -0.463 -10.763 7.487 251 2HG GLU 30 1HG GLU 30 -1.204 -12.091 6.598 252 H LYS 31 H LYS 31 1.937 -8.688 5.357 253 HA LYS 31 HA LYS 31 -0.045 -7.184 6.861 254 1HB LYS 31 2HB LYS 31 2.737 -6.250 6.211 255 2HB LYS 31 1HB LYS 31 1.732 -5.832 7.595 256 1HG LYS 31 1HG LYS 31 2.994 -8.502 7.050 257 2HG LYS 31 2HG LYS 31 3.519 -7.325 8.256 258 1HD LYS 31 1HD LYS 31 1.462 -7.603 9.485 259 2HD LYS 31 2HD LYS 31 0.806 -8.647 8.220 260 1HE LYS 31 1HE LYS 31 2.514 -10.310 8.670 261 2HE LYS 31 2HE LYS 31 3.243 -9.263 9.889 262 1HZ LYS 31 1HZ LYS 31 1.644 -11.127 10.621 263 2HZ LYS 31 2HZ LYS 31 0.421 -10.063 10.136 264 3HZ LYS 31 3HZ LYS 31 1.510 -9.603 11.345 265 H LEU 32 H LEU 32 1.587 -7.150 3.825 266 HA LEU 32 HA LEU 32 0.894 -4.536 3.003 267 1HB LEU 32 2HB LEU 32 2.713 -5.796 1.993 268 2HB LEU 32 1HB LEU 32 1.574 -6.988 1.396 269 HG LEU 32 HG LEU 32 0.605 -5.376 -0.118 270 1HD1 LEU 32 1HD2 LEU 32 0.525 -3.245 0.488 271 2HD1 LEU 32 2HD2 LEU 32 2.225 -3.118 0.033 272 3HD1 LEU 32 3HD2 LEU 32 1.783 -3.482 1.701 273 1HD2 LEU 32 1HD1 LEU 32 2.572 -6.467 -0.948 274 2HD2 LEU 32 2HD1 LEU 32 3.609 -5.279 -0.159 275 3HD2 LEU 32 3HD1 LEU 32 2.568 -4.792 -1.494 276 H GLU 33 H GLU 33 -0.792 -7.542 3.187 277 HA GLU 33 HA GLU 33 -2.870 -6.688 1.337 278 1HB GLU 33 2HB GLU 33 -3.975 -8.792 1.827 279 2HB GLU 33 1HB GLU 33 -2.284 -9.072 1.441 280 1HG GLU 33 1HG GLU 33 -1.809 -9.876 3.486 281 2HG GLU 33 2HG GLU 33 -2.888 -8.743 4.301 282 H VAL 34 H VAL 34 -2.400 -7.098 4.820 283 HA VAL 34 HA VAL 34 -5.060 -6.403 5.526 284 HB VAL 34 HB VAL 34 -4.269 -6.139 7.801 285 1HG1 VAL 34 1HG1 VAL 34 -3.997 -8.345 8.143 286 2HG1 VAL 34 2HG1 VAL 34 -2.643 -8.462 7.017 287 3HG1 VAL 34 3HG1 VAL 34 -4.299 -8.446 6.409 288 1HG2 VAL 34 1HG2 VAL 34 -1.498 -6.368 6.638 289 2HG2 VAL 34 2HG2 VAL 34 -1.885 -6.392 8.359 290 3HG2 VAL 34 3HG2 VAL 34 -2.204 -4.945 7.403 291 H VAL 35 H VAL 35 -2.084 -4.580 5.046 292 HA VAL 35 HA VAL 35 -2.889 -2.123 6.104 293 HB VAL 35 HB VAL 35 -0.582 -2.434 5.403 294 1HG1 VAL 35 1HG1 VAL 35 -1.787 -3.358 2.974 295 2HG1 VAL 35 2HG1 VAL 35 -0.114 -3.492 3.513 296 3HG1 VAL 35 3HG1 VAL 35 -0.639 -2.064 2.623 297 1HG2 VAL 35 1HG2 VAL 35 -0.392 -0.248 5.069 298 2HG2 VAL 35 2HG2 VAL 35 -2.140 -0.181 4.845 299 3HG2 VAL 35 3HG2 VAL 35 -1.078 -0.388 3.451 300 H VAL 36 H VAL 36 -3.274 -3.471 2.845 301 HA VAL 36 HA VAL 36 -4.937 -1.236 2.069 302 HB VAL 36 HB VAL 36 -3.434 -2.347 0.417 303 1HG1 VAL 36 1HG1 VAL 36 -3.438 -4.560 0.284 304 2HG1 VAL 36 2HG1 VAL 36 -5.002 -4.433 -0.520 305 3HG1 VAL 36 3HG1 VAL 36 -4.923 -4.672 1.226 306 1HG2 VAL 36 1HG2 VAL 36 -6.283 -1.732 0.077 307 2HG2 VAL 36 2HG2 VAL 36 -5.522 -2.609 -1.256 308 3HG2 VAL 36 3HG2 VAL 36 -4.862 -1.057 -0.727 309 H ASN 37 H ASN 37 -5.326 -4.327 3.506 310 HA ASN 37 HA ASN 37 -7.904 -5.009 2.655 311 1HB ASN 37 1HB ASN 37 -6.604 -6.561 3.989 312 2HB ASN 37 2HB ASN 37 -6.565 -5.428 5.337 313 1HD2 ASN 37 1HD2 ASN 37 -7.799 -6.053 6.919 314 2HD2 ASN 37 2HD2 ASN 37 -9.350 -6.820 6.775 315 H GLU 38 H GLU 38 -6.743 -2.793 5.101 316 HA GLU 38 HA GLU 38 -9.307 -2.108 6.144 317 1HB GLU 38 2HB GLU 38 -6.688 -0.600 6.256 318 2HB GLU 38 1HB GLU 38 -8.117 -0.224 7.207 319 1HG GLU 38 2HG GLU 38 -6.561 -2.797 7.351 320 2HG GLU 38 1HG GLU 38 -6.424 -1.453 8.484 321 H ARG 39 H ARG 39 -7.138 -0.723 3.710 322 HA ARG 39 HA ARG 39 -8.838 1.526 3.188 323 1HB ARG 39 2HB ARG 39 -6.523 0.360 1.632 324 2HB ARG 39 1HB ARG 39 -7.420 1.769 1.109 325 1HG ARG 39 2HG ARG 39 -5.309 2.328 2.231 326 2HG ARG 39 1HG ARG 39 -6.721 3.017 3.029 327 1HD ARG 39 2HD ARG 39 -6.650 1.129 4.634 328 2HD ARG 39 1HD ARG 39 -5.157 0.592 3.865 329 HE ARG 39 HE ARG 39 -4.112 2.068 5.239 330 1HH1 ARG 39 1HH1 ARG 39 -7.205 3.421 4.363 331 2HH1 ARG 39 2HH1 ARG 39 -6.963 4.886 5.255 332 1HH2 ARG 39 1HH2 ARG 39 -3.789 3.992 6.419 333 2HH2 ARG 39 2HH2 ARG 39 -5.022 5.208 6.425 334 H ARG 40 H ARG 40 -8.142 -1.465 1.490 335 HA ARG 40 HA ARG 40 -9.685 -1.263 -0.742 336 1HB ARG 40 1HB ARG 40 -8.617 -3.460 0.876 337 2HB ARG 40 2HB ARG 40 -10.072 -3.901 -0.005 338 1HG ARG 40 2HG ARG 40 -7.498 -2.847 -1.158 339 2HG ARG 40 1HG ARG 40 -8.149 -4.490 -1.302 340 1HD ARG 40 1HD ARG 40 -10.060 -3.633 -2.552 341 2HD ARG 40 2HD ARG 40 -9.462 -1.984 -2.372 342 HE ARG 40 HE ARG 40 -8.682 -3.848 -4.343 343 1HH1 ARG 40 1HH1 ARG 40 -7.381 -1.366 -2.272 344 2HH1 ARG 40 2HH1 ARG 40 -6.091 -0.963 -3.353 345 1HH2 ARG 40 1HH2 ARG 40 -6.994 -3.318 -5.774 346 2HH2 ARG 40 2HH2 ARG 40 -5.871 -2.071 -5.345 347 H GLU 41 H GLU 41 -10.755 -2.093 2.526 348 HA GLU 41 HA GLU 41 -13.470 -2.535 1.621 349 1HB GLU 41 2HB GLU 41 -12.281 -2.550 4.393 350 2HB GLU 41 1HB GLU 41 -13.939 -2.992 4.006 351 1HG GLU 41 1HG GLU 41 -13.126 -4.829 2.617 352 2HG GLU 41 2HG GLU 41 -11.466 -4.388 3.009 353 H GLU 42 H GLU 42 -11.965 -0.250 3.943 354 HA GLU 42 HA GLU 42 -14.415 1.300 4.004 355 1HB GLU 42 2HB GLU 42 -11.791 1.701 5.441 356 2HB GLU 42 1HB GLU 42 -13.250 2.641 5.717 357 1HG GLU 42 1HG GLU 42 -14.414 0.626 6.453 358 2HG GLU 42 2HG GLU 42 -12.950 -0.317 6.176 359 H GLU 43 H GLU 43 -11.109 1.717 2.861 360 HA GLU 43 HA GLU 43 -11.458 4.457 2.197 361 1HB GLU 43 1HB GLU 43 -9.384 2.421 1.495 362 2HB GLU 43 2HB GLU 43 -9.306 4.084 0.924 363 1HG GLU 43 2HG GLU 43 -9.279 3.129 3.773 364 2HG GLU 43 1HG GLU 43 -7.951 3.861 2.878 365 H SER 44 H SER 44 -11.591 1.454 0.303 366 HA SER 44 HA SER 44 -11.877 2.601 -2.231 367 1HB SER 44 1HB SER 44 -11.605 0.166 -1.903 368 2HB SER 44 2HB SER 44 -13.203 0.087 -1.163 369 HG SER 44 HG SER 44 -13.190 -0.486 -3.405 370 H ALA 45 H ALA 45 -14.025 2.145 0.439 371 HA ALA 45 HA ALA 45 -16.484 2.799 -0.770 372 1HB ALA 45 1HB ALA 45 -15.406 2.504 1.945 373 2HB ALA 45 2HB ALA 45 -16.968 2.007 1.285 374 3HB ALA 45 3HB ALA 45 -16.725 3.671 1.814 375 H ALA 46 H ALA 46 -13.977 4.702 0.848 376 HA ALA 46 HA ALA 46 -15.236 7.220 0.713 377 1HB ALA 46 1HB ALA 46 -12.988 8.152 1.029 378 2HB ALA 46 2HB ALA 46 -12.281 6.574 0.679 379 3HB ALA 46 3HB ALA 46 -13.275 6.796 2.121 380 H ALA 47 H ALA 47 -13.210 5.429 -1.534 381 HA ALA 47 HA ALA 47 -12.858 7.477 -3.448 382 1HB ALA 47 1HB ALA 47 -11.674 5.941 -4.578 383 2HB ALA 47 2HB ALA 47 -12.970 4.749 -4.509 384 3HB ALA 47 3HB ALA 47 -11.883 4.950 -3.135 385 H ALA 48 H ALA 48 -15.253 4.883 -3.135 386 HA ALA 48 HA ALA 48 -16.660 5.352 -5.509 387 1HB ALA 48 1HB ALA 48 -18.334 4.534 -3.257 388 2HB ALA 48 2HB ALA 48 -16.871 3.567 -3.441 389 3HB ALA 48 3HB ALA 48 -18.006 3.712 -4.782 390 H GLU 49 H GLU 49 -16.943 6.766 -2.297 391 HA GLU 49 HA GLU 49 -19.277 8.259 -2.676 392 1HB GLU 49 1HB GLU 49 -18.195 7.894 -0.485 393 2HB GLU 49 2HB GLU 49 -16.866 8.933 -0.978 394 1HG GLU 49 2HG GLU 49 -18.389 10.115 0.472 395 2HG GLU 49 1HG GLU 49 -18.393 10.824 -1.141 396 H VAL 50 H VAL 50 -15.887 9.031 -3.278 397 HA VAL 50 HA VAL 50 -14.880 10.478 -4.712 398 HB VAL 50 HB VAL 50 -17.662 11.047 -5.734 399 1HG1 VAL 50 1HG2 VAL 50 -15.882 11.506 -7.780 400 2HG1 VAL 50 2HG2 VAL 50 -15.053 12.174 -6.374 401 3HG1 VAL 50 3HG2 VAL 50 -16.668 12.742 -6.797 402 1HG2 VAL 50 1HG1 VAL 50 -17.036 8.702 -5.974 403 2HG2 VAL 50 2HG1 VAL 50 -15.531 9.176 -6.764 404 3HG2 VAL 50 3HG1 VAL 50 -17.078 9.506 -7.543 405 H GLU 51 H GLU 51 -17.943 11.997 -3.644 406 HA GLU 51 HA GLU 51 -18.383 14.012 -2.691 407 1HB GLU 51 1HB GLU 51 -15.511 13.819 -1.750 408 2HB GLU 51 2HB GLU 51 -16.733 14.908 -1.106 409 1HG GLU 51 1HG GLU 51 -18.047 12.987 -0.359 410 2HG GLU 51 2HG GLU 51 -16.803 11.905 -0.980 411 H GLU 52 H GLU 52 -16.176 16.068 -2.291 412 HA GLU 52 HA GLU 52 -15.321 17.868 -3.372 413 1HB GLU 52 2HB GLU 52 -13.893 16.220 -4.483 414 2HB GLU 52 1HB GLU 52 -15.132 15.950 -5.701 415 1HG GLU 52 1HG GLU 52 -14.898 18.256 -6.459 416 2HG GLU 52 2HG GLU 52 -13.665 18.537 -5.230 417 H ARG 53 H ARG 53 -16.257 19.635 -4.152 418 HA ARG 53 HA ARG 53 -17.645 21.032 -5.283 419 1HB ARG 53 2HB ARG 53 -18.328 18.600 -6.937 420 2HB ARG 53 1HB ARG 53 -18.831 20.244 -7.302 421 1HG ARG 53 2HG ARG 53 -16.476 20.899 -7.527 422 2HG ARG 53 1HG ARG 53 -15.996 19.232 -7.207 423 1HD ARG 53 1HD ARG 53 -15.997 19.698 -9.599 424 2HD ARG 53 2HD ARG 53 -17.216 18.493 -9.187 425 HE ARG 53 HE ARG 53 -18.418 21.021 -9.166 426 1HH1 ARG 53 1HH1 ARG 53 -17.009 18.764 -11.415 427 2HH1 ARG 53 2HH1 ARG 53 -17.986 19.284 -12.747 428 1HH2 ARG 53 1HH2 ARG 53 -19.706 21.713 -10.915 429 2HH2 ARG 53 2HH2 ARG 53 -19.518 20.961 -12.464 430 H THR 54 H THR 54 -19.042 17.892 -4.438 431 HA THR 54 HA THR 54 -21.727 18.597 -4.356 432 HB THR 54 HB THR 54 -22.030 16.757 -2.749 433 HG1 THR 54 1HG THR 54 -20.203 15.683 -1.941 434 1HG2 THR 54 1HG2 THR 54 -19.974 15.880 -4.758 435 2HG2 THR 54 2HG2 THR 54 -21.583 16.408 -5.249 436 3HG2 THR 54 3HG2 THR 54 -21.399 15.012 -4.188 437 H ARG 55 H ARG 55 -22.983 19.713 -2.979 438 HA ARG 55 HA ARG 55 -21.791 21.447 -1.082 439 1HB ARG 55 2HB ARG 55 -24.680 20.775 -1.654 440 2HB ARG 55 1HB ARG 55 -24.187 21.998 -0.492 441 1HG ARG 55 2HG ARG 55 -24.753 23.089 -2.532 442 2HG ARG 55 1HG ARG 55 -23.003 23.182 -2.331 443 1HD ARG 55 1HD ARG 55 -22.745 21.274 -3.862 444 2HD ARG 55 2HD ARG 55 -24.493 21.236 -4.088 445 HE ARG 55 HE ARG 55 -22.684 22.889 -5.454 446 1HH1 ARG 55 1HH1 ARG 55 -25.798 23.048 -3.895 447 2HH1 ARG 55 2HH1 ARG 55 -26.368 24.353 -4.881 448 1HH2 ARG 55 1HH2 ARG 55 -23.428 24.605 -6.755 449 2HH2 ARG 55 2HH2 ARG 55 -25.021 25.237 -6.505 450 H LYS 56 H LYS 56 -24.248 21.004 0.756 451 HA LYS 56 HA LYS 56 -22.880 19.676 2.813 452 1HB LYS 56 1HB LYS 56 -24.684 21.293 3.217 453 2HB LYS 56 2HB LYS 56 -25.849 20.174 2.523 454 1HG LYS 56 1HG LYS 56 -25.460 18.601 4.316 455 2HG LYS 56 2HG LYS 56 -24.202 19.640 4.987 456 1HD LYS 56 1HD LYS 56 -26.273 19.916 6.225 457 2HD LYS 56 2HD LYS 56 -25.874 21.400 5.361 458 1HE LYS 56 1HE LYS 56 -27.454 20.789 3.592 459 2HE LYS 56 2HE LYS 56 -27.860 19.314 4.469 460 1HZ LYS 56 1HZ LYS 56 -28.927 20.498 6.129 461 2HZ LYS 56 2HZ LYS 56 -29.370 21.346 4.734 462 3HZ LYS 56 3HZ LYS 56 -28.159 21.956 5.744 463 H LEU 57 H LEU 57 -25.381 18.547 0.572 464 HA LEU 57 HA LEU 57 -25.774 16.008 1.691 465 1HB LEU 57 1HB LEU 57 -27.210 17.101 -0.039 466 2HB LEU 57 2HB LEU 57 -25.966 16.768 -1.227 467 HG LEU 57 HG LEU 57 -27.913 15.191 -1.249 468 1HD1 LEU 57 1HD2 LEU 57 -25.585 13.498 -0.595 469 2HD1 LEU 57 2HD2 LEU 57 -25.359 14.713 -1.852 470 3HD1 LEU 57 3HD2 LEU 57 -26.630 13.501 -2.015 471 1HD2 LEU 57 1HD1 LEU 57 -28.283 15.065 1.157 472 2HD2 LEU 57 2HD1 LEU 57 -26.735 14.243 1.356 473 3HD2 LEU 57 3HD1 LEU 57 -28.038 13.464 0.459 474 H SER 1 1HT SER 1 -12.568 -7.269 0.283 475 HA SER 1 HA SER 1 -11.735 -10.010 0.302 476 1HB SER 1 1HB SER 1 -14.018 -9.243 -0.173 477 2HB SER 1 2HB SER 1 -13.431 -8.325 -1.560 478 HG SER 1 HG SER 1 -13.947 -11.008 -1.319 479 H GLU 2 H GLU 2 -10.994 -7.151 -1.605 480 HA GLU 2 HA GLU 2 -9.668 -8.583 -3.697 481 1HB GLU 2 1HB GLU 2 -10.727 -6.401 -4.088 482 2HB GLU 2 2HB GLU 2 -9.583 -5.647 -2.987 483 1HG GLU 2 1HG GLU 2 -8.901 -5.225 -5.241 484 2HG GLU 2 2HG GLU 2 -7.744 -6.321 -4.487 485 H ALA 3 H ALA 3 -8.737 -7.265 -0.632 486 HA ALA 3 HA ALA 3 -5.893 -7.320 -1.223 487 1HB ALA 3 1HB ALA 3 -7.352 -6.799 1.367 488 2HB ALA 3 2HB ALA 3 -6.784 -5.572 0.232 489 3HB ALA 3 3HB ALA 3 -5.623 -6.582 1.095 490 H LEU 4 H LEU 4 -8.293 -9.308 0.122 491 HA LEU 4 HA LEU 4 -6.477 -11.085 1.483 492 1HB LEU 4 1HB LEU 4 -9.436 -11.322 0.947 493 2HB LEU 4 2HB LEU 4 -8.514 -12.274 2.100 494 HG LEU 4 HG LEU 4 -9.626 -10.671 3.410 495 1HD1 LEU 4 1HD1 LEU 4 -7.459 -10.717 4.228 496 2HD1 LEU 4 2HD1 LEU 4 -7.757 -8.993 4.000 497 3HD1 LEU 4 3HD1 LEU 4 -6.805 -9.890 2.814 498 1HD2 LEU 4 1HD2 LEU 4 -9.842 -8.346 2.902 499 2HD2 LEU 4 2HD2 LEU 4 -10.312 -9.252 1.466 500 3HD2 LEU 4 3HD2 LEU 4 -8.728 -8.478 1.539 501 H LYS 5 H LYS 5 -8.510 -11.069 -1.362 502 HA LYS 5 HA LYS 5 -7.759 -13.726 -2.163 503 1HB LYS 5 2HB LYS 5 -10.025 -12.934 -2.597 504 2HB LYS 5 1HB LYS 5 -9.396 -11.624 -3.587 505 1HG LYS 5 2HG LYS 5 -10.298 -13.565 -4.864 506 2HG LYS 5 1HG LYS 5 -8.626 -13.141 -5.249 507 1HD LYS 5 2HD LYS 5 -7.838 -14.915 -3.760 508 2HD LYS 5 1HD LYS 5 -9.510 -15.348 -3.393 509 1HE LYS 5 1HE LYS 5 -9.888 -15.886 -5.752 510 2HE LYS 5 2HE LYS 5 -8.217 -15.458 -6.117 511 1HZ LYS 5 1HZ LYS 5 -8.160 -17.305 -4.038 512 2HZ LYS 5 2HZ LYS 5 -7.651 -17.528 -5.636 513 3HZ LYS 5 3HZ LYS 5 -9.237 -17.912 -5.194 514 H ILE 6 H ILE 6 -6.652 -10.505 -2.762 515 HA ILE 6 HA ILE 6 -5.508 -10.702 -5.274 516 HB ILE 6 HB ILE 6 -5.488 -8.588 -4.110 517 1HG1 ILE 6 2HG1 ILE 6 -2.663 -9.640 -4.357 518 2HG1 ILE 6 1HG1 ILE 6 -3.642 -9.021 -5.675 519 1HG2 ILE 6 1HG2 ILE 6 -5.209 -9.767 -1.844 520 2HG2 ILE 6 2HG2 ILE 6 -4.497 -8.169 -2.060 521 3HG2 ILE 6 3HG2 ILE 6 -3.479 -9.606 -2.146 522 1HD1 ILE 6 1HD1 ILE 6 -2.052 -7.613 -3.714 523 2HD1 ILE 6 2HD1 ILE 6 -3.702 -6.992 -3.822 524 3HD1 ILE 6 3HD1 ILE 6 -2.688 -7.057 -5.266 525 H LEU 7 H LEU 7 -4.171 -11.413 -2.132 526 HA LEU 7 HA LEU 7 -1.977 -12.889 -3.345 527 1HB LEU 7 1HB LEU 7 -0.696 -12.145 -1.651 528 2HB LEU 7 2HB LEU 7 -1.990 -10.992 -1.386 529 HG LEU 7 HG LEU 7 -2.930 -12.887 0.186 530 1HD1 LEU 7 1HD1 LEU 7 -0.318 -13.863 -0.514 531 2HD1 LEU 7 2HD1 LEU 7 -1.586 -14.634 0.438 532 3HD1 LEU 7 3HD1 LEU 7 -0.425 -13.556 1.220 533 1HD2 LEU 7 1HD2 LEU 7 -0.863 -10.799 0.650 534 2HD2 LEU 7 2HD2 LEU 7 -1.317 -11.868 1.978 535 3HD2 LEU 7 3HD2 LEU 7 -2.544 -10.872 1.189 536 H ASN 8 H ASN 8 -4.999 -13.316 -2.182 537 HA ASN 8 HA ASN 8 -6.222 -15.035 -1.340 538 1HB ASN 8 2HB ASN 8 -5.758 -17.250 -2.249 539 2HB ASN 8 1HB ASN 8 -5.563 -16.018 -3.491 540 1HD2 ASN 8 1HD2 ASN 8 -3.888 -16.277 -4.743 541 2HD2 ASN 8 2HD2 ASN 8 -2.397 -17.060 -4.317 542 H ASN 9 H ASN 9 -4.375 -13.974 0.469 543 HA ASN 9 HA ASN 9 -3.565 -14.319 2.548 544 1HB ASN 9 1HB ASN 9 -5.010 -16.962 2.309 545 2HB ASN 9 2HB ASN 9 -4.397 -16.263 3.807 546 1HD2 ASN 9 2HD2 ASN 9 -5.369 -13.705 2.024 547 2HD2 ASN 9 1HD2 ASN 9 -6.991 -13.543 2.592 548 H ILE 10 H ILE 10 -1.614 -14.760 3.259 549 HA ILE 10 HA ILE 10 0.313 -16.109 1.781 550 HB ILE 10 HB ILE 10 1.750 -15.988 3.760 551 1HG1 ILE 10 2HG1 ILE 10 -0.093 -16.467 5.424 552 2HG1 ILE 10 1HG1 ILE 10 0.993 -15.156 5.869 553 1HG2 ILE 10 1HG2 ILE 10 1.958 -14.030 2.661 554 2HG2 ILE 10 2HG2 ILE 10 1.217 -13.396 4.132 555 3HG2 ILE 10 3HG2 ILE 10 0.227 -13.690 2.702 556 1HD1 ILE 10 1HD1 ILE 10 -1.228 -14.510 6.414 557 2HD1 ILE 10 2HD1 ILE 10 -1.803 -14.917 4.798 558 3HD1 ILE 10 3HD1 ILE 10 -0.711 -13.551 5.027 559 H ARG 11 H ARG 11 -1.845 -17.313 4.260 560 HA ARG 11 HA ARG 11 -0.556 -19.672 4.963 561 1HB ARG 11 1HB ARG 11 -2.844 -20.525 5.491 562 2HB ARG 11 2HB ARG 11 -2.505 -18.936 6.163 563 1HG ARG 11 2HG ARG 11 -3.745 -17.907 4.306 564 2HG ARG 11 1HG ARG 11 -4.121 -19.515 3.690 565 1HD ARG 11 1HD ARG 11 -6.006 -18.687 4.930 566 2HD ARG 11 2HD ARG 11 -5.274 -20.022 5.815 567 HE ARG 11 HE ARG 11 -5.412 -17.255 6.629 568 1HH1 ARG 11 1HH1 ARG 11 -3.928 -20.368 7.147 569 2HH1 ARG 11 2HH1 ARG 11 -3.345 -19.968 8.728 570 1HH2 ARG 11 1HH2 ARG 11 -4.650 -16.726 8.707 571 2HH2 ARG 11 2HH2 ARG 11 -3.755 -17.899 9.614 572 H THR 12 H THR 12 -2.918 -19.145 2.354 573 HA THR 12 HA THR 12 -2.707 -21.804 1.341 574 HB THR 12 HB THR 12 -3.815 -19.310 0.036 575 HG1 THR 12 1HG THR 12 -5.812 -20.192 0.720 576 1HG2 THR 12 1HG2 THR 12 -4.952 -20.820 -1.499 577 2HG2 THR 12 2HG2 THR 12 -4.192 -22.209 -0.723 578 3HG2 THR 12 3HG2 THR 12 -3.206 -21.043 -1.605 579 H LEU 13 H LEU 13 -1.188 -18.727 0.596 580 HA LEU 13 HA LEU 13 -0.020 -19.437 -1.844 581 1HB LEU 13 2HB LEU 13 -0.040 -17.163 -1.399 582 2HB LEU 13 1HB LEU 13 0.624 -17.371 0.210 583 HG LEU 13 HG LEU 13 2.813 -17.768 -0.641 584 1HD1 LEU 13 1HD1 LEU 13 2.562 -19.178 -2.477 585 2HD1 LEU 13 2HD1 LEU 13 3.142 -17.668 -3.195 586 3HD1 LEU 13 3HD1 LEU 13 1.430 -18.082 -3.281 587 1HD2 LEU 13 1HD2 LEU 13 2.569 -15.702 -2.527 588 2HD2 LEU 13 2HD2 LEU 13 3.038 -15.580 -0.829 589 3HD2 LEU 13 3HD2 LEU 13 1.344 -15.411 -1.292 590 H ARG 14 H ARG 14 1.585 -19.265 1.344 591 HA ARG 14 HA ARG 14 4.049 -20.180 0.701 592 1HB ARG 14 2HB ARG 14 2.456 -20.963 3.147 593 2HB ARG 14 1HB ARG 14 4.196 -21.151 2.977 594 1HG ARG 14 2HG ARG 14 4.375 -18.694 2.674 595 2HG ARG 14 1HG ARG 14 2.649 -18.571 3.018 596 1HD ARG 14 2HD ARG 14 3.938 -18.108 5.018 597 2HD ARG 14 1HD ARG 14 3.025 -19.605 5.212 598 HE ARG 14 HE ARG 14 5.565 -20.258 4.261 599 1HH1 ARG 14 1HH1 ARG 14 4.087 -18.911 7.113 600 2HH1 ARG 14 2HH1 ARG 14 5.314 -19.501 8.184 601 1HH2 ARG 14 1HH2 ARG 14 7.185 -21.036 5.659 602 2HH2 ARG 14 2HH2 ARG 14 7.075 -20.709 7.357 603 H ALA 15 H ALA 15 1.118 -22.013 0.740 604 HA ALA 15 HA ALA 15 2.444 -24.579 0.594 605 1HB ALA 15 1HB ALA 15 0.279 -25.531 0.523 606 2HB ALA 15 2HB ALA 15 -0.452 -23.989 0.084 607 3HB ALA 15 3HB ALA 15 0.227 -24.215 1.696 608 H GLN 16 H GLN 16 0.483 -22.566 -1.606 609 HA GLN 16 HA GLN 16 0.772 -24.314 -3.830 610 1HB GLN 16 2HB GLN 16 -0.120 -22.504 -5.176 611 2HB GLN 16 1HB GLN 16 -1.016 -22.604 -3.668 612 1HG GLN 16 2HG GLN 16 0.296 -20.746 -2.777 613 2HG GLN 16 1HG GLN 16 1.164 -20.633 -4.304 614 1HE2 GLN 16 2HE2 GLN 16 -1.212 -19.268 -2.560 615 2HE2 GLN 16 1HE2 GLN 16 -2.180 -18.593 -3.835 616 H ALA 17 H ALA 17 2.735 -21.893 -2.430 617 HA ALA 17 HA ALA 17 4.466 -21.584 -4.720 618 1HB ALA 17 1HB ALA 17 5.206 -19.730 -3.739 619 2HB ALA 17 2HB ALA 17 5.459 -20.542 -2.193 620 3HB ALA 17 3HB ALA 17 3.856 -19.942 -2.620 621 H ARG 18 H ARG 18 4.165 -23.604 -1.978 622 HA ARG 18 HA ARG 18 6.676 -24.289 -1.192 623 1HB ARG 18 1HB ARG 18 4.400 -26.146 -1.892 624 2HB ARG 18 2HB ARG 18 5.888 -26.714 -1.151 625 1HG ARG 18 1HG ARG 18 4.038 -24.665 0.044 626 2HG ARG 18 2HG ARG 18 4.074 -26.377 0.468 627 1HD ARG 18 1HD ARG 18 6.367 -24.442 0.774 628 2HD ARG 18 2HD ARG 18 5.323 -25.008 2.075 629 HE ARG 18 HE ARG 18 6.436 -27.234 0.793 630 1HH1 ARG 18 1HH1 ARG 18 7.414 -24.550 2.789 631 2HH1 ARG 18 2HH1 ARG 18 8.747 -25.399 3.502 632 1HH2 ARG 18 1HH2 ARG 18 8.188 -28.358 1.726 633 2HH2 ARG 18 2HH2 ARG 18 9.186 -27.563 2.897 634 H GLU 19 H GLU 19 5.230 -24.839 -4.293 635 HA GLU 19 HA GLU 19 7.737 -26.069 -5.255 636 1HB GLU 19 2HB GLU 19 4.955 -26.294 -6.422 637 2HB GLU 19 1HB GLU 19 6.404 -27.036 -7.086 638 1HG GLU 19 1HG GLU 19 6.647 -28.351 -5.026 639 2HG GLU 19 2HG GLU 19 5.153 -27.640 -4.417 640 H SER 20 H SER 20 7.804 -23.409 -4.966 641 HA SER 20 HA SER 20 8.351 -22.455 -7.568 642 1HB SER 20 1HB SER 20 5.913 -22.263 -7.724 643 2HB SER 20 2HB SER 20 5.882 -21.296 -6.250 644 HG SER 20 HG SER 20 6.783 -20.614 -8.813 645 H THR 21 H THR 21 9.321 -20.396 -7.582 646 HA THR 21 HA THR 21 10.734 -19.734 -5.194 647 HB THR 21 HB THR 21 10.615 -18.167 -7.782 648 HG1 THR 21 1HG THR 21 12.046 -20.474 -7.016 649 1HG2 THR 21 1HG2 THR 21 13.155 -17.975 -6.710 650 2HG2 THR 21 2HG2 THR 21 12.105 -17.867 -5.297 651 3HG2 THR 21 3HG2 THR 21 11.903 -16.735 -6.636 652 H LEU 22 H LEU 22 10.869 -17.380 -4.439 653 HA LEU 22 HA LEU 22 8.423 -16.572 -3.414 654 1HB LEU 22 1HB LEU 22 9.592 -15.044 -2.263 655 2HB LEU 22 2HB LEU 22 10.990 -15.879 -2.913 656 HG LEU 22 HG LEU 22 9.757 -13.498 -4.283 657 1HD1 LEU 22 1HD1 LEU 22 10.349 -12.596 -2.215 658 2HD1 LEU 22 2HD1 LEU 22 11.750 -12.283 -3.242 659 3HD1 LEU 22 3HD1 LEU 22 11.786 -13.611 -2.082 660 1HD2 LEU 22 1HD2 LEU 22 12.608 -14.326 -4.459 661 2HD2 LEU 22 2HD2 LEU 22 11.608 -13.446 -5.618 662 3HD2 LEU 22 3HD2 LEU 22 11.390 -15.184 -5.402 663 H GLU 23 H GLU 23 9.647 -16.145 -6.549 664 HA GLU 23 HA GLU 23 8.861 -13.733 -7.456 665 1HB GLU 23 1HB GLU 23 9.755 -15.510 -8.902 666 2HB GLU 23 2HB GLU 23 8.223 -16.366 -8.804 667 1HG GLU 23 2HG GLU 23 7.108 -14.503 -9.921 668 2HG GLU 23 1HG GLU 23 8.648 -13.648 -10.025 669 H THR 24 H THR 24 6.780 -16.231 -6.239 670 HA THR 24 HA THR 24 4.310 -15.483 -7.268 671 HB THR 24 HB THR 24 4.489 -17.500 -5.967 672 HG1 THR 24 1HG THR 24 2.566 -15.824 -5.728 673 1HG2 THR 24 1HG2 THR 24 4.589 -16.341 -3.311 674 2HG2 THR 24 2HG2 THR 24 6.044 -15.980 -4.240 675 3HG2 THR 24 3HG2 THR 24 5.540 -17.654 -4.003 676 H LEU 25 H LEU 25 6.093 -14.175 -4.489 677 HA LEU 25 HA LEU 25 4.053 -12.354 -3.747 678 1HB LEU 25 2HB LEU 25 5.980 -11.145 -2.557 679 2HB LEU 25 1HB LEU 25 5.514 -12.734 -2.004 680 HG LEU 25 HG LEU 25 7.459 -13.670 -3.286 681 1HD1 LEU 25 1HD2 LEU 25 9.055 -11.332 -3.350 682 2HD1 LEU 25 2HD2 LEU 25 7.591 -11.016 -4.282 683 3HD1 LEU 25 3HD2 LEU 25 8.613 -12.402 -4.682 684 1HD2 LEU 25 1HD1 LEU 25 9.074 -12.212 -1.621 685 2HD2 LEU 25 2HD1 LEU 25 8.170 -13.662 -1.182 686 3HD2 LEU 25 3HD1 LEU 25 7.487 -12.067 -0.864 687 H GLU 26 H GLU 26 6.949 -12.077 -5.780 688 HA GLU 26 HA GLU 26 6.719 -9.331 -6.268 689 1HB GLU 26 1HB GLU 26 8.727 -10.471 -6.923 690 2HB GLU 26 2HB GLU 26 7.836 -11.549 -7.996 691 1HG GLU 26 2HG GLU 26 7.256 -9.614 -9.407 692 2HG GLU 26 1HG GLU 26 8.225 -8.586 -8.352 693 H GLU 27 H GLU 27 4.884 -12.037 -7.303 694 HA GLU 27 HA GLU 27 3.622 -10.649 -9.510 695 1HB GLU 27 1HB GLU 27 3.983 -13.078 -9.628 696 2HB GLU 27 2HB GLU 27 2.964 -13.301 -8.213 697 1HG GLU 27 1HG GLU 27 1.049 -12.427 -9.448 698 2HG GLU 27 2HG GLU 27 2.071 -12.193 -10.867 699 H MET 28 H MET 28 2.585 -11.945 -6.358 700 HA MET 28 HA MET 28 0.107 -10.438 -6.479 701 1HB MET 28 1HB MET 28 1.153 -12.260 -4.312 702 2HB MET 28 2HB MET 28 -0.479 -11.617 -4.428 703 1HG MET 28 1HG MET 28 0.822 -13.524 -6.353 704 2HG MET 28 2HG MET 28 -0.397 -13.924 -5.145 705 1HE MET 28 1HE MET 28 -1.099 -14.630 -8.469 706 2HE MET 28 2HE MET 28 -2.750 -14.479 -7.870 707 3HE MET 28 3HE MET 28 -1.491 -15.140 -6.826 708 H LEU 29 H LEU 29 2.908 -10.678 -4.331 709 HA LEU 29 HA LEU 29 2.136 -8.696 -2.501 710 1HB LEU 29 2HB LEU 29 3.790 -10.243 -1.868 711 2HB LEU 29 1HB LEU 29 4.802 -9.879 -3.244 712 HG LEU 29 HG LEU 29 5.121 -7.563 -2.183 713 1HD1 LEU 29 1HD1 LEU 29 4.555 -8.767 0.442 714 2HD1 LEU 29 2HD1 LEU 29 3.142 -8.307 -0.510 715 3HD1 LEU 29 3HD1 LEU 29 4.370 -7.103 -0.112 716 1HD2 LEU 29 1HD2 LEU 29 6.221 -10.171 -1.349 717 2HD2 LEU 29 2HD2 LEU 29 6.585 -8.797 -0.306 718 3HD2 LEU 29 3HD2 LEU 29 7.033 -8.752 -2.012 719 H GLU 30 H GLU 30 3.804 -8.433 -5.587 720 HA GLU 30 HA GLU 30 4.656 -5.742 -5.279 721 1HB GLU 30 2HB GLU 30 5.653 -7.089 -7.003 722 2HB GLU 30 1HB GLU 30 4.088 -7.383 -7.749 723 1HG GLU 30 1HG GLU 30 3.922 -4.995 -8.297 724 2HG GLU 30 2HG GLU 30 5.520 -4.740 -7.599 725 H LYS 31 H LYS 31 1.666 -7.233 -6.325 726 HA LYS 31 HA LYS 31 0.533 -4.710 -7.200 727 1HB LYS 31 2HB LYS 31 -0.978 -7.280 -6.808 728 2HB LYS 31 1HB LYS 31 -1.325 -5.962 -7.924 729 1HG LYS 31 2HG LYS 31 0.991 -7.871 -8.076 730 2HG LYS 31 1HG LYS 31 -0.440 -7.878 -9.112 731 1HD LYS 31 2HD LYS 31 0.168 -5.732 -10.035 732 2HD LYS 31 1HD LYS 31 1.517 -5.590 -8.906 733 1HE LYS 31 2HE LYS 31 2.301 -6.261 -11.110 734 2HE LYS 31 1HE LYS 31 2.582 -7.536 -9.925 735 1HZ LYS 31 1HZ LYS 31 1.587 -8.854 -11.399 736 2HZ LYS 31 2HZ LYS 31 0.948 -7.562 -12.285 737 3HZ LYS 31 3HZ LYS 31 0.133 -8.136 -10.918 738 H LEU 32 H LEU 32 0.615 -6.769 -4.459 739 HA LEU 32 HA LEU 32 -1.624 -5.780 -3.060 740 1HB LEU 32 1HB LEU 32 -0.288 -7.878 -2.602 741 2HB LEU 32 2HB LEU 32 0.916 -6.843 -1.854 742 HG LEU 32 HG LEU 32 -0.663 -6.106 -0.179 743 1HD1 LEU 32 1HD2 LEU 32 -2.881 -6.303 -0.332 744 2HD1 LEU 32 2HD2 LEU 32 -2.787 -7.997 -0.818 745 3HD1 LEU 32 3HD2 LEU 32 -2.603 -6.721 -2.023 746 1HD2 LEU 32 1HD1 LEU 32 -0.722 -8.049 1.088 747 2HD2 LEU 32 2HD1 LEU 32 0.587 -8.348 -0.054 748 3HD2 LEU 32 3HD1 LEU 32 -0.996 -9.075 -0.319 749 H GLU 33 H GLU 33 1.585 -4.621 -3.617 750 HA GLU 33 HA GLU 33 1.388 -2.630 -1.501 751 1HB GLU 33 1HB GLU 33 3.593 -1.941 -2.082 752 2HB GLU 33 2HB GLU 33 3.578 -3.697 -2.097 753 1HG GLU 33 1HG GLU 33 3.575 -3.755 -4.477 754 2HG GLU 33 2HG GLU 33 3.287 -2.019 -4.578 755 H VAL 34 H VAL 34 1.205 -2.829 -5.030 756 HA VAL 34 HA VAL 34 0.994 -0.045 -5.468 757 HB VAL 34 HB VAL 34 0.200 -0.506 -7.671 758 1HG1 VAL 34 1HG1 VAL 34 2.099 -1.432 -8.474 759 2HG1 VAL 34 2HG1 VAL 34 2.021 -2.815 -7.384 760 3HG1 VAL 34 3HG1 VAL 34 2.601 -1.259 -6.793 761 1HG2 VAL 34 1HG2 VAL 34 -0.246 -3.346 -6.778 762 2HG2 VAL 34 2HG2 VAL 34 -0.417 -2.749 -8.428 763 3HG2 VAL 34 3HG2 VAL 34 -1.495 -2.163 -7.161 764 H VAL 35 H VAL 35 -1.354 -2.550 -4.652 765 HA VAL 35 HA VAL 35 -3.697 -1.111 -5.201 766 HB VAL 35 HB VAL 35 -4.823 -2.420 -3.437 767 1HG1 VAL 35 1HG2 VAL 35 -3.595 -4.726 -4.372 768 2HG1 VAL 35 2HG2 VAL 35 -3.368 -3.539 -5.660 769 3HG1 VAL 35 3HG2 VAL 35 -4.991 -3.903 -5.069 770 1HG2 VAL 35 1HG1 VAL 35 -2.745 -2.376 -1.939 771 2HG2 VAL 35 2HG1 VAL 35 -2.236 -3.798 -2.850 772 3HG2 VAL 35 3HG1 VAL 35 -3.747 -3.828 -1.942 773 H VAL 36 H VAL 36 -1.597 -1.187 -2.346 774 HA VAL 36 HA VAL 36 -3.116 0.932 -1.108 775 HB VAL 36 HB VAL 36 -0.717 0.783 0.279 776 1HG1 VAL 36 1HG2 VAL 36 -3.422 -0.417 0.783 777 2HG1 VAL 36 2HG2 VAL 36 -2.825 1.158 1.305 778 3HG1 VAL 36 3HG2 VAL 36 -2.148 -0.320 1.998 779 1HG2 VAL 36 1HG1 VAL 36 -0.445 -1.590 0.797 780 2HG2 VAL 36 2HG1 VAL 36 -0.106 -1.255 -0.902 781 3HG2 VAL 36 3HG1 VAL 36 -1.639 -1.993 -0.439 782 H ASN 37 H ASN 37 -0.482 0.680 -3.292 783 HA ASN 37 HA ASN 37 0.921 3.027 -2.722 784 1HB ASN 37 1HB ASN 37 1.573 1.385 -4.491 785 2HB ASN 37 2HB ASN 37 0.225 1.951 -5.475 786 1HD2 ASN 37 1HD2 ASN 37 3.413 2.124 -5.181 787 2HD2 ASN 37 2HD2 ASN 37 3.710 3.708 -5.827 788 H GLU 38 H GLU 38 -2.121 2.405 -4.290 789 HA GLU 38 HA GLU 38 -2.606 5.184 -4.953 790 1HB GLU 38 1HB GLU 38 -4.442 2.783 -5.053 791 2HB GLU 38 2HB GLU 38 -4.813 4.375 -5.699 792 1HG GLU 38 1HG GLU 38 -2.601 2.561 -6.635 793 2HG GLU 38 2HG GLU 38 -4.138 2.835 -7.454 794 H ARG 39 H ARG 39 -3.781 2.789 -2.618 795 HA ARG 39 HA ARG 39 -5.626 4.527 -1.329 796 1HB ARG 39 1HB ARG 39 -4.367 1.908 -0.592 797 2HB ARG 39 2HB ARG 39 -5.330 2.787 0.572 798 1HG ARG 39 2HG ARG 39 -6.603 1.046 -0.546 799 2HG ARG 39 1HG ARG 39 -7.266 2.648 -0.854 800 1HD ARG 39 2HD ARG 39 -5.316 1.503 -2.777 801 2HD ARG 39 1HD ARG 39 -6.980 0.923 -2.803 802 HE ARG 39 HE ARG 39 -6.043 3.345 -3.878 803 1HH1 ARG 39 1HH1 ARG 39 -8.696 2.098 -1.990 804 2HH1 ARG 39 2HH1 ARG 39 -9.816 3.302 -2.532 805 1HH2 ARG 39 1HH2 ARG 39 -7.516 4.934 -4.597 806 2HH2 ARG 39 2HH2 ARG 39 -9.146 4.912 -4.014 807 H ARG 40 H ARG 40 -2.461 3.299 -0.309 808 HA ARG 40 HA ARG 40 -2.127 4.661 2.040 809 1HB ARG 40 2HB ARG 40 -0.188 3.727 -0.028 810 2HB ARG 40 1HB ARG 40 0.406 4.801 1.229 811 1HG ARG 40 2HG ARG 40 -0.929 2.133 1.657 812 2HG ARG 40 1HG ARG 40 0.795 2.493 1.847 813 1HD ARG 40 1HD ARG 40 0.183 4.151 3.601 814 2HD ARG 40 2HD ARG 40 -1.494 3.629 3.461 815 HE ARG 40 HE ARG 40 0.136 1.397 3.975 816 1HH1 ARG 40 1HH1 ARG 40 -1.097 4.264 5.523 817 2HH1 ARG 40 2HH1 ARG 40 -1.036 3.590 7.116 818 1HH2 ARG 40 1HH2 ARG 40 0.228 0.501 6.081 819 2HH2 ARG 40 2HH2 ARG 40 -0.284 1.454 7.433 820 H GLU 41 H GLU 41 -1.641 5.939 -1.221 821 HA GLU 41 HA GLU 41 -0.708 8.471 -0.171 822 1HB GLU 41 1HB GLU 41 -1.298 7.599 -2.998 823 2HB GLU 41 2HB GLU 41 -0.588 9.144 -2.550 824 1HG GLU 41 2HG GLU 41 1.323 7.969 -1.563 825 2HG GLU 41 1HG GLU 41 0.615 6.430 -2.051 826 H GLU 42 H GLU 42 -3.568 7.433 -2.061 827 HA GLU 42 HA GLU 42 -4.758 10.056 -1.722 828 1HB GLU 42 1HB GLU 42 -4.929 8.927 -3.881 829 2HB GLU 42 2HB GLU 42 -5.795 7.596 -3.128 830 1HG GLU 42 2HG GLU 42 -7.624 9.100 -2.555 831 2HG GLU 42 1HG GLU 42 -6.752 10.445 -3.292 832 H GLU 43 H GLU 43 -5.432 6.742 -0.710 833 HA GLU 43 HA GLU 43 -7.871 7.376 0.576 834 1HB GLU 43 1HB GLU 43 -6.030 5.020 0.756 835 2HB GLU 43 2HB GLU 43 -7.556 5.109 1.634 836 1HG GLU 43 2HG GLU 43 -7.159 5.168 -1.349 837 2HG GLU 43 1HG GLU 43 -7.856 3.865 -0.392 838 H SER 44 H SER 44 -4.555 6.931 1.819 839 HA SER 44 HA SER 44 -5.145 7.210 4.537 840 1HB SER 44 1HB SER 44 -2.897 6.585 3.730 841 2HB SER 44 2HB SER 44 -2.687 8.202 3.060 842 HG SER 44 HG SER 44 -2.358 7.334 5.610 843 H ALA 45 H ALA 45 -4.856 9.459 1.928 844 HA ALA 45 HA ALA 45 -4.847 11.885 3.365 845 1HB ALA 45 1HB ALA 45 -4.330 12.370 1.221 846 2HB ALA 45 2HB ALA 45 -6.076 12.510 1.021 847 3HB ALA 45 3HB ALA 45 -5.256 11.006 0.588 848 H ALA 46 H ALA 46 -7.411 9.851 2.021 849 HA ALA 46 HA ALA 46 -9.604 11.496 2.654 850 1HB ALA 46 1HB ALA 46 -10.964 9.501 2.369 851 2HB ALA 46 2HB ALA 46 -9.531 8.479 2.499 852 3HB ALA 46 3HB ALA 46 -9.720 9.562 1.119 853 H ALA 47 H ALA 47 -7.877 9.021 4.471 854 HA ALA 47 HA ALA 47 -9.633 8.954 6.699 855 1HB ALA 47 1HB ALA 47 -8.234 7.396 7.539 856 2HB ALA 47 2HB ALA 47 -6.789 8.338 7.171 857 3HB ALA 47 3HB ALA 47 -7.582 7.405 5.901 858 H ALA 48 H ALA 48 -6.597 10.681 6.077 859 HA ALA 48 HA ALA 48 -6.382 11.938 8.580 860 1HB ALA 48 1HB ALA 48 -5.311 13.648 6.578 861 2HB ALA 48 2HB ALA 48 -4.988 11.979 6.110 862 3HB ALA 48 3HB ALA 48 -4.454 12.572 7.682 863 H GLU 49 H GLU 49 -8.023 12.867 5.607 864 HA GLU 49 HA GLU 49 -8.718 15.485 6.262 865 1HB GLU 49 2HB GLU 49 -8.999 14.560 4.018 866 2HB GLU 49 1HB GLU 49 -10.242 13.465 4.605 867 1HG GLU 49 2HG GLU 49 -11.274 15.299 3.463 868 2HG GLU 49 1HG GLU 49 -11.642 15.406 5.184 869 H VAL 50 H VAL 50 -10.400 12.435 6.916 870 HA VAL 50 HA VAL 50 -11.985 11.862 8.436 871 HB VAL 50 HB VAL 50 -11.330 14.512 9.734 872 1HG1 VAL 50 1HG2 VAL 50 -12.136 12.966 11.756 873 2HG1 VAL 50 2HG2 VAL 50 -13.112 12.264 10.466 874 3HG1 VAL 50 3HG2 VAL 50 -13.243 13.983 10.835 875 1HG2 VAL 50 1HG1 VAL 50 -10.017 11.862 9.750 876 2HG2 VAL 50 2HG1 VAL 50 -10.160 12.684 11.305 877 3HG2 VAL 50 3HG1 VAL 50 -9.329 13.473 9.963 878 H GLU 51 H GLU 51 -14.162 11.943 8.476 879 HA GLU 51 HA GLU 51 -15.630 14.372 8.042 880 1HB GLU 51 2HB GLU 51 -16.718 13.639 5.949 881 2HB GLU 51 1HB GLU 51 -14.993 13.916 5.744 882 1HG GLU 51 2HG GLU 51 -14.601 11.498 5.911 883 2HG GLU 51 1HG GLU 51 -16.341 11.242 6.057 884 H GLU 52 H GLU 52 -17.687 14.220 8.774 885 HA GLU 52 HA GLU 52 -19.179 11.819 8.925 886 1HB GLU 52 2HB GLU 52 -17.566 11.295 10.701 887 2HB GLU 52 1HB GLU 52 -17.968 12.800 11.518 888 1HG GLU 52 2HG GLU 52 -19.076 10.987 12.617 889 2HG GLU 52 1HG GLU 52 -20.278 11.988 11.806 890 H ARG 53 H ARG 53 -18.610 15.006 10.356 891 HA ARG 53 HA ARG 53 -21.150 15.989 9.609 892 1HB ARG 53 2HB ARG 53 -22.121 16.290 11.868 893 2HB ARG 53 1HB ARG 53 -21.992 14.599 11.406 894 1HG ARG 53 2HG ARG 53 -19.978 14.375 12.769 895 2HG ARG 53 1HG ARG 53 -20.104 16.072 13.232 896 1HD ARG 53 2HD ARG 53 -22.274 15.631 14.267 897 2HD ARG 53 1HD ARG 53 -22.157 13.935 13.798 898 HE ARG 53 HE ARG 53 -20.930 13.610 15.679 899 1HH1 ARG 53 1HH1 ARG 53 -20.514 16.930 14.696 900 2HH1 ARG 53 2HH1 ARG 53 -19.487 17.327 16.033 901 1HH2 ARG 53 1HH2 ARG 53 -19.581 14.130 17.440 902 2HH2 ARG 53 2HH2 ARG 53 -18.958 15.739 17.590 903 H THR 54 H THR 54 -18.502 16.845 9.337 904 HA THR 54 HA THR 54 -17.965 18.923 11.261 905 HB THR 54 HB THR 54 -16.074 19.514 9.787 906 HG1 THR 54 1HG THR 54 -16.749 17.287 8.175 907 1HG2 THR 54 1HG2 THR 54 -16.101 16.525 10.064 908 2HG2 THR 54 2HG2 THR 54 -16.068 17.571 11.483 909 3HG2 THR 54 3HG2 THR 54 -14.763 17.650 10.299 910 H ARG 55 H ARG 55 -20.506 19.185 9.984 911 HA ARG 55 HA ARG 55 -21.841 20.702 8.934 912 1HB ARG 55 1HB ARG 55 -19.572 22.559 9.672 913 2HB ARG 55 2HB ARG 55 -21.192 23.065 9.213 914 1HG ARG 55 1HG ARG 55 -20.505 21.399 11.626 915 2HG ARG 55 2HG ARG 55 -20.844 23.130 11.635 916 1HD ARG 55 1HD ARG 55 -23.094 22.690 10.771 917 2HD ARG 55 2HD ARG 55 -22.753 20.960 10.773 918 HE ARG 55 HE ARG 55 -22.295 21.934 13.349 919 1HH1 ARG 55 1HH1 ARG 55 -24.949 21.481 11.137 920 2HH1 ARG 55 2HH1 ARG 55 -26.124 21.266 12.391 921 1HH2 ARG 55 1HH2 ARG 55 -23.835 21.651 15.005 922 2HH2 ARG 55 2HH2 ARG 55 -25.492 21.362 14.588 923 H LYS 56 H LYS 56 -20.624 23.165 7.610 924 HA LYS 56 HA LYS 56 -20.577 22.148 4.968 925 1HB LYS 56 2HB LYS 56 -19.771 24.849 6.060 926 2HB LYS 56 1HB LYS 56 -19.923 24.475 4.350 927 1HG LYS 56 2HG LYS 56 -22.171 24.255 6.340 928 2HG LYS 56 1HG LYS 56 -21.880 25.656 5.307 929 1HD LYS 56 1HD LYS 56 -22.395 22.850 4.324 930 2HD LYS 56 2HD LYS 56 -23.597 24.142 4.388 931 1HE LYS 56 2HE LYS 56 -22.227 25.481 2.858 932 2HE LYS 56 1HE LYS 56 -21.042 24.178 2.783 933 1HZ LYS 56 1HZ LYS 56 -22.207 23.303 1.137 934 2HZ LYS 56 2HZ LYS 56 -23.398 24.498 1.277 935 3HZ LYS 56 3HZ LYS 56 -23.520 23.072 2.180 936 H LEU 57 H LEU 57 -18.026 23.444 7.075 937 HA LEU 57 HA LEU 57 -15.906 23.186 5.260 938 1HB LEU 57 1HB LEU 57 -15.913 24.472 7.424 939 2HB LEU 57 2HB LEU 57 -15.735 22.945 8.263 940 HG LEU 57 HG LEU 57 -13.619 24.247 7.996 941 1HD1 LEU 57 1HD2 LEU 57 -13.072 21.800 6.470 942 2HD1 LEU 57 2HD2 LEU 57 -13.989 21.573 7.960 943 3HD1 LEU 57 3HD2 LEU 57 -12.411 22.359 8.006 944 1HD2 LEU 57 1HD1 LEU 57 -14.132 25.104 5.727 945 2HD2 LEU 57 2HD1 LEU 57 -13.842 23.484 5.093 946 3HD2 LEU 57 3HD1 LEU 57 -12.531 24.375 5.866 Start of MODEL 3 1 H SER 1 1HT SER 1 5.741 6.569 2.217 2 HA SER 1 HA SER 1 5.555 4.860 -0.195 3 1HB SER 1 1HB SER 1 7.977 5.755 1.393 4 2HB SER 1 2HB SER 1 7.999 4.579 0.078 5 HG SER 1 HG SER 1 7.936 7.302 -0.024 6 H GLU 2 H GLU 2 4.005 4.418 2.068 7 HA GLU 2 HA GLU 2 5.370 2.613 3.851 8 1HB GLU 2 1HB GLU 2 3.539 4.017 4.667 9 2HB GLU 2 2HB GLU 2 2.430 3.239 3.548 10 1HG GLU 2 2HG GLU 2 2.117 2.347 5.756 11 2HG GLU 2 1HG GLU 2 2.790 1.101 4.706 12 H ALA 3 H ALA 3 3.409 2.381 0.980 13 HA ALA 3 HA ALA 3 2.899 -0.443 1.223 14 1HB ALA 3 1HB ALA 3 2.615 1.358 -1.182 15 2HB ALA 3 2HB ALA 3 1.361 1.067 0.024 16 3HB ALA 3 3HB ALA 3 1.931 -0.256 -0.994 17 H LEU 4 H LEU 4 5.271 1.596 -0.090 18 HA LEU 4 HA LEU 4 6.530 -0.354 -1.777 19 1HB LEU 4 2HB LEU 4 7.425 2.394 -0.917 20 2HB LEU 4 1HB LEU 4 8.091 1.460 -2.249 21 HG LEU 4 HG LEU 4 6.692 3.030 -3.289 22 1HD1 LEU 4 1HD1 LEU 4 5.275 0.420 -2.911 23 2HD1 LEU 4 2HD1 LEU 4 6.209 0.982 -4.299 24 3HD1 LEU 4 3HD1 LEU 4 4.624 1.681 -3.959 25 1HD2 LEU 4 1HD2 LEU 4 5.600 3.785 -1.178 26 2HD2 LEU 4 2HD2 LEU 4 4.495 2.416 -1.309 27 3HD2 LEU 4 3HD2 LEU 4 4.503 3.670 -2.552 28 H LYS 5 H LYS 5 7.079 1.239 1.289 29 HA LYS 5 HA LYS 5 9.597 -0.018 1.799 30 1HB LYS 5 1HB LYS 5 9.179 2.145 2.775 31 2HB LYS 5 2HB LYS 5 7.733 1.553 3.583 32 1HG LYS 5 2HG LYS 5 9.776 1.828 5.026 33 2HG LYS 5 1HG LYS 5 8.987 0.246 5.092 34 1HD LYS 5 2HD LYS 5 10.623 -0.635 3.508 35 2HD LYS 5 1HD LYS 5 11.417 0.941 3.448 36 1HE LYS 5 1HE LYS 5 11.918 0.786 5.838 37 2HE LYS 5 2HE LYS 5 11.122 -0.788 5.903 38 1HZ LYS 5 1HZ LYS 5 12.788 -1.512 4.184 39 2HZ LYS 5 2HZ LYS 5 13.412 -1.212 5.728 40 3HZ LYS 5 3HZ LYS 5 13.626 -0.075 4.493 41 H ILE 6 H ILE 6 6.255 -0.619 2.693 42 HA ILE 6 HA ILE 6 6.573 -2.500 4.711 43 HB ILE 6 HB ILE 6 4.394 -1.527 3.964 44 1HG1 ILE 6 2HG1 ILE 6 4.393 -3.577 5.345 45 2HG1 ILE 6 1HG1 ILE 6 3.050 -3.508 4.217 46 1HG2 ILE 6 1HG2 ILE 6 3.254 -2.261 2.036 47 2HG2 ILE 6 2HG2 ILE 6 4.481 -3.481 1.688 48 3HG2 ILE 6 3HG2 ILE 6 4.871 -1.767 1.533 49 1HD1 ILE 6 1HD1 ILE 6 5.233 -5.432 4.375 50 2HD1 ILE 6 2HD1 ILE 6 4.786 -4.914 2.749 51 3HD1 ILE 6 3HD1 ILE 6 3.573 -5.628 3.811 52 H LEU 7 H LEU 7 6.212 -2.880 1.291 53 HA LEU 7 HA LEU 7 6.818 -5.653 1.164 54 1HB LEU 7 1HB LEU 7 5.394 -4.166 -0.395 55 2HB LEU 7 2HB LEU 7 6.916 -3.627 -1.063 56 HG LEU 7 HG LEU 7 5.776 -6.400 -1.201 57 1HD1 LEU 7 1HD2 LEU 7 5.639 -4.059 -2.844 58 2HD1 LEU 7 2HD2 LEU 7 4.785 -5.597 -3.003 59 3HD1 LEU 7 3HD2 LEU 7 6.386 -5.401 -3.715 60 1HD2 LEU 7 1HD1 LEU 7 7.729 -6.758 -2.797 61 2HD2 LEU 7 2HD1 LEU 7 8.049 -6.840 -1.061 62 3HD2 LEU 7 3HD1 LEU 7 8.473 -5.389 -1.967 63 H ASN 8 H ASN 8 8.450 -2.641 1.016 64 HA ASN 8 HA ASN 8 10.671 -2.055 0.841 65 1HB ASN 8 2HB ASN 8 11.231 -5.034 1.053 66 2HB ASN 8 1HB ASN 8 12.426 -3.747 1.197 67 1HD2 ASN 8 1HD2 ASN 8 12.967 -3.237 3.176 68 2HD2 ASN 8 2HD2 ASN 8 11.981 -3.434 4.594 69 H ASN 9 H ASN 9 8.789 -3.535 -1.180 70 HA ASN 9 HA ASN 9 8.620 -3.785 -3.389 71 1HB ASN 9 2HB ASN 9 11.285 -2.350 -3.376 72 2HB ASN 9 1HB ASN 9 10.404 -2.760 -4.850 73 1HD2 ASN 9 2HD2 ASN 9 10.876 -0.441 -2.506 74 2HD2 ASN 9 1HD2 ASN 9 9.479 0.534 -2.808 75 H ILE 10 H ILE 10 8.692 -5.575 -4.419 76 HA ILE 10 HA ILE 10 10.113 -7.808 -3.741 77 HB ILE 10 HB ILE 10 9.410 -8.792 -5.850 78 1HG1 ILE 10 1HG1 ILE 10 9.876 -6.787 -7.276 79 2HG1 ILE 10 2HG1 ILE 10 8.303 -7.516 -7.576 80 1HG2 ILE 10 1HG2 ILE 10 7.685 -8.927 -4.361 81 2HG2 ILE 10 2HG2 ILE 10 6.909 -7.982 -5.634 82 3HG2 ILE 10 3HG2 ILE 10 7.539 -7.176 -4.197 83 1HD1 ILE 10 1HD1 ILE 10 8.891 -4.981 -6.079 84 2HD1 ILE 10 2HD1 ILE 10 7.307 -5.759 -6.101 85 3HD1 ILE 10 3HD1 ILE 10 8.021 -5.167 -7.602 86 H ARG 11 H ARG 11 11.147 -5.232 -5.851 87 HA ARG 11 HA ARG 11 13.076 -6.510 -7.368 88 1HB ARG 11 2HB ARG 11 14.217 -4.299 -7.471 89 2HB ARG 11 1HB ARG 11 12.495 -4.225 -7.814 90 1HG ARG 11 1HG ARG 11 12.091 -3.448 -5.513 91 2HG ARG 11 2HG ARG 11 13.833 -3.463 -5.227 92 1HD ARG 11 1HD ARG 11 14.140 -1.833 -7.027 93 2HD ARG 11 2HD ARG 11 12.399 -1.814 -7.306 94 HE ARG 11 HE ARG 11 12.243 -0.306 -5.617 95 1HH1 ARG 11 1HH1 ARG 11 15.109 -2.220 -5.088 96 2HH1 ARG 11 2HH1 ARG 11 15.577 -1.354 -3.661 97 1HH2 ARG 11 1HH2 ARG 11 12.856 0.839 -3.744 98 2HH2 ARG 11 2HH2 ARG 11 14.296 0.384 -2.898 99 H THR 12 H THR 12 13.541 -4.958 -4.182 100 HA THR 12 HA THR 12 16.202 -6.101 -3.984 101 HB THR 12 HB THR 12 15.699 -3.790 -3.135 102 HG1 THR 12 1HG THR 12 17.264 -4.075 -1.703 103 1HG2 THR 12 1HG2 THR 12 13.475 -4.580 -2.103 104 2HG2 THR 12 2HG2 THR 12 14.447 -3.417 -1.201 105 3HG2 THR 12 3HG2 THR 12 14.466 -5.122 -0.748 106 H LEU 13 H LEU 13 12.987 -6.664 -2.766 107 HA LEU 13 HA LEU 13 13.605 -8.274 -0.563 108 1HB LEU 13 1HB LEU 13 11.369 -7.300 -1.089 109 2HB LEU 13 2HB LEU 13 11.185 -8.509 -2.345 110 HG LEU 13 HG LEU 13 11.545 -9.162 0.582 111 1HD1 LEU 13 1HD2 LEU 13 9.364 -7.937 -0.420 112 2HD1 LEU 13 2HD2 LEU 13 9.327 -9.081 0.921 113 3HD1 LEU 13 3HD2 LEU 13 8.948 -9.624 -0.714 114 1HD2 LEU 13 1HD1 LEU 13 10.698 -11.377 -0.105 115 2HD2 LEU 13 2HD1 LEU 13 12.248 -10.973 -0.850 116 3HD2 LEU 13 3HD1 LEU 13 10.756 -10.850 -1.787 117 H ARG 14 H ARG 14 12.548 -9.373 -3.806 118 HA ARG 14 HA ARG 14 12.823 -12.060 -3.484 119 1HB ARG 14 2HB ARG 14 13.506 -10.388 -5.897 120 2HB ARG 14 1HB ARG 14 13.507 -12.146 -5.926 121 1HG ARG 14 1HG ARG 14 11.115 -12.059 -5.170 122 2HG ARG 14 2HG ARG 14 11.174 -10.316 -5.448 123 1HD ARG 14 1HD ARG 14 10.243 -11.508 -7.375 124 2HD ARG 14 2HD ARG 14 11.749 -10.685 -7.780 125 HE ARG 14 HE ARG 14 12.336 -13.322 -7.030 126 1HH1 ARG 14 1HH1 ARG 14 10.781 -11.564 -9.605 127 2HH1 ARG 14 2HH1 ARG 14 11.128 -12.762 -10.807 128 1HH2 ARG 14 1HH2 ARG 14 12.799 -14.904 -8.606 129 2HH2 ARG 14 2HH2 ARG 14 12.275 -14.659 -10.239 130 H ALA 15 H ALA 15 15.368 -9.716 -3.819 131 HA ALA 15 HA ALA 15 17.461 -11.657 -4.177 132 1HB ALA 15 1HB ALA 15 18.955 -9.817 -4.143 133 2HB ALA 15 2HB ALA 15 17.753 -8.780 -3.376 134 3HB ALA 15 3HB ALA 15 17.526 -9.310 -5.044 135 H GLN 16 H GLN 16 16.423 -9.523 -1.519 136 HA GLN 16 HA GLN 16 18.379 -10.395 0.326 137 1HB GLN 16 1HB GLN 16 17.160 -9.223 1.983 138 2HB GLN 16 2HB GLN 16 16.874 -8.327 0.498 139 1HG GLN 16 2HG GLN 16 14.708 -9.425 0.248 140 2HG GLN 16 1HG GLN 16 14.996 -10.331 1.732 141 1HE2 GLN 16 1HE2 GLN 16 13.123 -8.075 0.686 142 2HE2 GLN 16 2HE2 GLN 16 13.057 -6.988 2.034 143 H ALA 17 H ALA 17 15.231 -11.507 -0.531 144 HA ALA 17 HA ALA 17 15.117 -13.536 1.518 145 1HB ALA 17 1HB ALA 17 13.264 -12.381 -0.457 146 2HB ALA 17 2HB ALA 17 12.983 -12.883 1.212 147 3HB ALA 17 3HB ALA 17 13.026 -14.090 -0.077 148 H ARG 18 H ARG 18 16.165 -13.171 -1.730 149 HA ARG 18 HA ARG 18 15.805 -15.598 -2.919 150 1HB ARG 18 2HB ARG 18 17.008 -13.676 -3.909 151 2HB ARG 18 1HB ARG 18 18.385 -14.026 -2.875 152 1HG ARG 18 2HG ARG 18 18.711 -16.154 -3.976 153 2HG ARG 18 1HG ARG 18 17.279 -15.875 -4.975 154 1HD ARG 18 1HD ARG 18 18.338 -13.875 -5.908 155 2HD ARG 18 2HD ARG 18 19.771 -14.184 -4.932 156 HE ARG 18 HE ARG 18 19.187 -15.337 -7.428 157 1HH1 ARG 18 1HH1 ARG 18 20.427 -16.214 -4.288 158 2HH1 ARG 18 2HH1 ARG 18 21.372 -17.534 -4.890 159 1HH2 ARG 18 1HH2 ARG 18 20.429 -17.072 -8.225 160 2HH2 ARG 18 2HH2 ARG 18 21.373 -18.021 -7.126 161 H GLU 19 H GLU 19 17.908 -14.812 -0.254 162 HA GLU 19 HA GLU 19 19.120 -17.467 -0.278 163 1HB GLU 19 1HB GLU 19 20.478 -16.619 1.603 164 2HB GLU 19 2HB GLU 19 20.593 -15.598 0.176 165 1HG GLU 19 2HG GLU 19 19.006 -14.030 1.169 166 2HG GLU 19 1HG GLU 19 18.895 -15.052 2.601 167 H SER 20 H SER 20 16.258 -17.222 0.255 168 HA SER 20 HA SER 20 16.142 -18.892 2.574 169 1HB SER 20 1HB SER 20 14.875 -16.145 2.745 170 2HB SER 20 2HB SER 20 14.626 -17.451 3.903 171 HG SER 20 HG SER 20 16.395 -16.854 4.834 172 H THR 21 H THR 21 13.439 -18.565 3.207 173 HA THR 21 HA THR 21 12.200 -19.735 0.843 174 HB THR 21 HB THR 21 11.117 -19.515 3.662 175 HG1 THR 21 1HG THR 21 12.860 -20.872 3.755 176 1HG2 THR 21 1HG2 THR 21 9.416 -19.833 1.869 177 2HG2 THR 21 2HG2 THR 21 9.513 -21.187 2.996 178 3HG2 THR 21 3HG2 THR 21 10.248 -21.315 1.398 179 H LEU 22 H LEU 22 9.953 -19.107 0.268 180 HA LEU 22 HA LEU 22 9.734 -16.369 -0.206 181 1HB LEU 22 1HB LEU 22 8.013 -16.925 -1.519 182 2HB LEU 22 2HB LEU 22 8.470 -18.582 -1.170 183 HG LEU 22 HG LEU 22 6.429 -17.063 0.437 184 1HD1 LEU 22 1HD1 LEU 22 5.998 -18.927 -1.887 185 2HD1 LEU 22 2HD1 LEU 22 5.661 -17.195 -1.855 186 3HD1 LEU 22 3HD1 LEU 22 4.734 -18.295 -0.831 187 1HD2 LEU 22 1HD2 LEU 22 6.461 -20.007 0.215 188 2HD2 LEU 22 2HD2 LEU 22 6.008 -18.968 1.567 189 3HD2 LEU 22 3HD2 LEU 22 7.712 -19.249 1.201 190 H GLU 23 H GLU 23 9.120 -18.130 2.615 191 HA GLU 23 HA GLU 23 6.950 -17.111 3.838 192 1HB GLU 23 1HB GLU 23 8.144 -17.268 5.975 193 2HB GLU 23 2HB GLU 23 8.507 -18.640 4.939 194 1HG GLU 23 2HG GLU 23 10.565 -18.105 5.818 195 2HG GLU 23 1HG GLU 23 10.590 -17.301 4.250 196 H THR 24 H THR 24 9.758 -15.335 2.878 197 HA THR 24 HA THR 24 9.642 -13.055 4.443 198 HB THR 24 HB THR 24 11.421 -13.335 2.828 199 HG1 THR 24 1HG THR 24 11.233 -11.203 3.138 200 1HG2 THR 24 1HG2 THR 24 9.211 -13.172 0.788 201 2HG2 THR 24 2HG2 THR 24 10.348 -14.492 1.050 202 3HG2 THR 24 3HG2 THR 24 10.914 -12.960 0.383 203 H LEU 25 H LEU 25 7.738 -13.923 1.584 204 HA LEU 25 HA LEU 25 6.284 -11.494 1.524 205 1HB LEU 25 1HB LEU 25 4.643 -12.830 0.109 206 2HB LEU 25 2HB LEU 25 6.255 -12.596 -0.516 207 HG LEU 25 HG LEU 25 6.825 -14.920 0.160 208 1HD1 LEU 25 1HD2 LEU 25 4.338 -14.746 1.549 209 2HD1 LEU 25 2HD2 LEU 25 5.528 -16.053 1.547 210 3HD1 LEU 25 3HD2 LEU 25 4.238 -16.028 0.341 211 1HD2 LEU 25 1HD1 LEU 25 4.799 -15.786 -1.483 212 2HD2 LEU 25 2HD1 LEU 25 6.351 -15.130 -2.005 213 3HD2 LEU 25 3HD1 LEU 25 4.942 -14.075 -1.888 214 H GLU 26 H GLU 26 5.717 -14.676 2.976 215 HA GLU 26 HA GLU 26 3.120 -14.191 3.873 216 1HB GLU 26 2HB GLU 26 4.021 -16.407 4.049 217 2HB GLU 26 1HB GLU 26 5.335 -15.857 5.085 218 1HG GLU 26 1HG GLU 26 3.714 -15.322 6.841 219 2HG GLU 26 2HG GLU 26 2.410 -15.888 5.799 220 H GLU 27 H GLU 27 6.174 -12.948 4.795 221 HA GLU 27 HA GLU 27 5.266 -11.874 7.330 222 1HB GLU 27 2HB GLU 27 7.565 -12.560 7.211 223 2HB GLU 27 1HB GLU 27 7.841 -11.574 5.783 224 1HG GLU 27 2HG GLU 27 7.558 -9.556 7.072 225 2HG GLU 27 1HG GLU 27 7.164 -10.498 8.509 226 H MET 28 H MET 28 6.379 -10.522 4.220 227 HA MET 28 HA MET 28 5.343 -7.908 4.932 228 1HB MET 28 2HB MET 28 6.722 -8.818 2.404 229 2HB MET 28 1HB MET 28 6.371 -7.153 2.846 230 1HG MET 28 2HG MET 28 8.229 -9.024 4.294 231 2HG MET 28 1HG MET 28 8.696 -7.684 3.248 232 1HE MET 28 1HE MET 28 9.737 -7.801 6.607 233 2HE MET 28 2HE MET 28 9.891 -6.061 6.362 234 3HE MET 28 3HE MET 28 10.255 -7.174 5.043 235 H LEU 29 H LEU 29 4.788 -10.345 2.434 236 HA LEU 29 HA LEU 29 2.759 -8.992 1.015 237 1HB LEU 29 2HB LEU 29 3.874 -10.794 -0.019 238 2HB LEU 29 1HB LEU 29 3.518 -11.900 1.283 239 HG LEU 29 HG LEU 29 1.104 -11.815 0.585 240 1HD1 LEU 29 1HD2 LEU 29 0.364 -10.570 -1.137 241 2HD1 LEU 29 2HD2 LEU 29 1.854 -10.772 -2.059 242 3HD1 LEU 29 3HD2 LEU 29 1.774 -9.579 -0.763 243 1HD2 LEU 29 1HD1 LEU 29 1.783 -12.905 -1.784 244 2HD2 LEU 29 2HD1 LEU 29 1.981 -13.733 -0.239 245 3HD2 LEU 29 3HD1 LEU 29 3.353 -12.911 -0.982 246 H GLU 30 H GLU 30 2.704 -10.631 4.043 247 HA GLU 30 HA GLU 30 -0.147 -11.054 4.107 248 1HB GLU 30 2HB GLU 30 1.217 -12.515 5.441 249 2HB GLU 30 1HB GLU 30 1.973 -11.153 6.255 250 1HG GLU 30 1HG GLU 30 -0.165 -10.591 7.298 251 2HG GLU 30 2HG GLU 30 -0.917 -11.964 6.486 252 H LYS 31 H LYS 31 2.104 -8.571 5.096 253 HA LYS 31 HA LYS 31 0.082 -7.098 6.567 254 1HB LYS 31 1HB LYS 31 2.814 -6.079 5.840 255 2HB LYS 31 2HB LYS 31 1.815 -5.650 7.224 256 1HG LYS 31 2HG LYS 31 3.158 -8.295 6.752 257 2HG LYS 31 1HG LYS 31 3.680 -7.053 7.893 258 1HD LYS 31 2HD LYS 31 1.685 -7.339 9.202 259 2HD LYS 31 1HD LYS 31 0.997 -8.427 7.992 260 1HE LYS 31 2HE LYS 31 1.872 -9.670 9.901 261 2HE LYS 31 1HE LYS 31 2.764 -10.047 8.427 262 1HZ LYS 31 1HZ LYS 31 3.849 -7.880 10.022 263 2HZ LYS 31 2HZ LYS 31 4.642 -9.152 9.237 264 3HZ LYS 31 3HZ LYS 31 3.919 -9.410 10.745 265 H LEU 32 H LEU 32 1.714 -7.080 3.524 266 HA LEU 32 HA LEU 32 0.936 -4.529 2.624 267 1HB LEU 32 1HB LEU 32 2.727 -6.012 1.679 268 2HB LEU 32 2HB LEU 32 1.451 -6.963 0.942 269 HG LEU 32 HG LEU 32 0.778 -5.183 -0.474 270 1HD1 LEU 32 1HD1 LEU 32 0.787 -3.129 0.393 271 2HD1 LEU 32 2HD1 LEU 32 2.485 -3.052 -0.075 272 3HD1 LEU 32 3HD1 LEU 32 2.042 -3.539 1.561 273 1HD2 LEU 32 1HD2 LEU 32 2.504 -5.928 -1.689 274 2HD2 LEU 32 2HD2 LEU 32 3.605 -5.913 -0.311 275 3HD2 LEU 32 3HD2 LEU 32 3.293 -4.428 -1.206 276 H GLU 33 H GLU 33 -0.696 -7.566 2.870 277 HA GLU 33 HA GLU 33 -2.824 -6.752 1.059 278 1HB GLU 33 2HB GLU 33 -3.883 -8.875 1.595 279 2HB GLU 33 1HB GLU 33 -2.196 -9.128 1.171 280 1HG GLU 33 1HG GLU 33 -1.590 -9.593 3.377 281 2HG GLU 33 2HG GLU 33 -3.063 -8.876 4.028 282 H VAL 34 H VAL 34 -2.324 -7.239 4.531 283 HA VAL 34 HA VAL 34 -4.956 -6.563 5.284 284 HB VAL 34 HB VAL 34 -4.062 -6.204 7.554 285 1HG1 VAL 34 1HG2 VAL 34 -3.885 -8.427 7.949 286 2HG1 VAL 34 2HG2 VAL 34 -2.683 -8.669 6.681 287 3HG1 VAL 34 3HG2 VAL 34 -4.391 -8.522 6.262 288 1HG2 VAL 34 1HG1 VAL 34 -1.880 -5.973 8.059 289 2HG2 VAL 34 2HG1 VAL 34 -1.749 -5.463 6.375 290 3HG2 VAL 34 3HG1 VAL 34 -1.368 -7.128 6.825 291 H VAL 35 H VAL 35 -2.111 -4.613 4.551 292 HA VAL 35 HA VAL 35 -2.960 -2.193 5.702 293 HB VAL 35 HB VAL 35 -1.674 -1.000 3.955 294 1HG1 VAL 35 1HG2 VAL 35 -0.574 -3.041 5.702 295 2HG1 VAL 35 2HG2 VAL 35 -0.073 -1.369 5.440 296 3HG1 VAL 35 3HG2 VAL 35 0.484 -2.638 4.347 297 1HG2 VAL 35 1HG1 VAL 35 -0.451 -3.294 2.716 298 2HG2 VAL 35 2HG1 VAL 35 -1.166 -1.859 1.983 299 3HG2 VAL 35 3HG1 VAL 35 -2.186 -3.237 2.402 300 H VAL 36 H VAL 36 -3.629 -3.692 2.564 301 HA VAL 36 HA VAL 36 -5.439 -1.587 1.806 302 HB VAL 36 HB VAL 36 -6.007 -3.942 0.310 303 1HG1 VAL 36 1HG2 VAL 36 -5.971 -1.344 -0.148 304 2HG1 VAL 36 2HG2 VAL 36 -5.799 -2.522 -1.452 305 3HG1 VAL 36 3HG2 VAL 36 -4.373 -1.728 -0.788 306 1HG2 VAL 36 1HG1 VAL 36 -3.655 -4.080 -0.750 307 2HG2 VAL 36 2HG1 VAL 36 -3.979 -4.984 0.728 308 3HG2 VAL 36 3HG1 VAL 36 -3.098 -3.459 0.806 309 H ASN 37 H ASN 37 -5.683 -4.758 3.302 310 HA ASN 37 HA ASN 37 -8.343 -5.346 3.118 311 1HB ASN 37 2HB ASN 37 -6.682 -6.650 4.429 312 2HB ASN 37 1HB ASN 37 -6.701 -5.403 5.665 313 1HD2 ASN 37 1HD2 ASN 37 -7.775 -5.999 7.364 314 2HD2 ASN 37 2HD2 ASN 37 -9.241 -6.932 7.383 315 H GLU 38 H GLU 38 -6.765 -2.935 5.068 316 HA GLU 38 HA GLU 38 -9.164 -2.002 6.348 317 1HB GLU 38 2HB GLU 38 -6.440 -0.714 6.111 318 2HB GLU 38 1HB GLU 38 -7.741 -0.151 7.152 319 1HG GLU 38 2HG GLU 38 -7.658 -2.255 8.394 320 2HG GLU 38 1HG GLU 38 -6.348 -2.813 7.353 321 H ARG 39 H ARG 39 -7.095 -0.839 3.699 322 HA ARG 39 HA ARG 39 -8.726 1.445 3.144 323 1HB ARG 39 2HB ARG 39 -6.563 0.094 1.539 324 2HB ARG 39 1HB ARG 39 -7.403 1.532 1.012 325 1HG ARG 39 1HG ARG 39 -5.158 1.900 2.029 326 2HG ARG 39 2HG ARG 39 -6.476 2.840 2.722 327 1HD ARG 39 2HD ARG 39 -5.681 0.237 3.939 328 2HD ARG 39 1HD ARG 39 -4.735 1.687 4.267 329 HE ARG 39 HE ARG 39 -7.209 1.004 5.432 330 1HH1 ARG 39 1HH1 ARG 39 -5.502 3.728 4.104 331 2HH1 ARG 39 2HH1 ARG 39 -6.329 4.893 5.086 332 1HH2 ARG 39 1HH2 ARG 39 -8.311 2.526 6.729 333 2HH2 ARG 39 2HH2 ARG 39 -7.927 4.208 6.579 334 H ARG 40 H ARG 40 -8.253 -1.656 1.445 335 HA ARG 40 HA ARG 40 -9.956 -1.388 -0.654 336 1HB ARG 40 1HB ARG 40 -9.509 -3.790 1.118 337 2HB ARG 40 2HB ARG 40 -10.508 -3.869 -0.324 338 1HG ARG 40 1HG ARG 40 -7.572 -3.198 -0.206 339 2HG ARG 40 2HG ARG 40 -8.292 -4.693 -0.817 340 1HD ARG 40 2HD ARG 40 -8.615 -1.923 -1.977 341 2HD ARG 40 1HD ARG 40 -7.675 -3.248 -2.662 342 HE ARG 40 HE ARG 40 -10.310 -4.120 -2.344 343 1HH1 ARG 40 1HH1 ARG 40 -8.496 -1.817 -4.227 344 2HH1 ARG 40 2HH1 ARG 40 -9.577 -1.877 -5.580 345 1HH2 ARG 40 1HH2 ARG 40 -11.738 -4.205 -4.120 346 2HH2 ARG 40 2HH2 ARG 40 -11.420 -3.234 -5.518 347 H GLU 41 H GLU 41 -10.826 -1.998 2.708 348 HA GLU 41 HA GLU 41 -13.653 -2.150 2.085 349 1HB GLU 41 2HB GLU 41 -12.210 -2.134 4.737 350 2HB GLU 41 1HB GLU 41 -13.934 -2.404 4.527 351 1HG GLU 41 2HG GLU 41 -11.758 -4.139 3.381 352 2HG GLU 41 1HG GLU 41 -12.666 -4.483 4.853 353 H GLU 42 H GLU 42 -11.521 0.150 3.798 354 HA GLU 42 HA GLU 42 -13.716 1.977 4.254 355 1HB GLU 42 1HB GLU 42 -10.759 2.275 4.797 356 2HB GLU 42 2HB GLU 42 -12.003 3.402 5.319 357 1HG GLU 42 1HG GLU 42 -11.834 0.515 6.150 358 2HG GLU 42 2HG GLU 42 -11.264 1.882 7.104 359 H GLU 43 H GLU 43 -10.797 1.916 2.285 360 HA GLU 43 HA GLU 43 -10.922 4.463 1.202 361 1HB GLU 43 2HB GLU 43 -9.070 2.734 0.984 362 2HB GLU 43 1HB GLU 43 -10.006 2.046 -0.334 363 1HG GLU 43 2HG GLU 43 -9.017 4.884 -0.230 364 2HG GLU 43 1HG GLU 43 -8.215 3.564 -1.079 365 H SER 44 H SER 44 -12.357 1.441 -0.022 366 HA SER 44 HA SER 44 -13.536 2.490 -2.330 367 1HB SER 44 2HB SER 44 -15.113 0.592 -2.180 368 2HB SER 44 1HB SER 44 -13.461 0.069 -1.851 369 HG SER 44 HG SER 44 -14.394 -0.761 -0.145 370 H ALA 45 H ALA 45 -14.473 2.489 1.015 371 HA ALA 45 HA ALA 45 -17.088 3.531 0.745 372 1HB ALA 45 1HB ALA 45 -16.888 2.735 2.848 373 2HB ALA 45 2HB ALA 45 -16.299 4.357 3.209 374 3HB ALA 45 3HB ALA 45 -15.151 3.048 2.909 375 H ALA 46 H ALA 46 -13.896 4.978 1.170 376 HA ALA 46 HA ALA 46 -14.717 7.656 1.498 377 1HB ALA 46 1HB ALA 46 -12.451 8.245 1.191 378 2HB ALA 46 2HB ALA 46 -12.126 6.809 0.220 379 3HB ALA 46 3HB ALA 46 -12.419 6.655 1.952 380 H ALA 47 H ALA 47 -13.953 5.715 -1.346 381 HA ALA 47 HA ALA 47 -13.989 7.742 -3.277 382 1HB ALA 47 1HB ALA 47 -14.980 5.575 -4.620 383 2HB ALA 47 2HB ALA 47 -14.150 4.821 -3.257 384 3HB ALA 47 3HB ALA 47 -13.271 5.902 -4.339 385 H ALA 48 H ALA 48 -16.581 5.813 -1.868 386 HA ALA 48 HA ALA 48 -18.616 6.986 -3.543 387 1HB ALA 48 1HB ALA 48 -20.042 5.455 -2.651 388 2HB ALA 48 2HB ALA 48 -19.354 5.590 -1.033 389 3HB ALA 48 3HB ALA 48 -18.520 4.649 -2.270 390 H GLU 49 H GLU 49 -17.280 7.492 -0.368 391 HA GLU 49 HA GLU 49 -19.273 9.143 0.717 392 1HB GLU 49 1HB GLU 49 -17.561 8.094 2.091 393 2HB GLU 49 2HB GLU 49 -16.309 9.036 1.294 394 1HG GLU 49 2HG GLU 49 -17.272 11.088 2.198 395 2HG GLU 49 1HG GLU 49 -18.529 10.143 2.999 396 H VAL 50 H VAL 50 -16.517 9.856 -1.356 397 HA VAL 50 HA VAL 50 -16.687 12.690 -1.040 398 HB VAL 50 HB VAL 50 -15.171 12.799 -3.007 399 1HG1 VAL 50 1HG2 VAL 50 -14.635 11.313 -0.520 400 2HG1 VAL 50 2HG2 VAL 50 -13.851 12.748 -1.181 401 3HG1 VAL 50 3HG2 VAL 50 -13.424 11.150 -1.791 402 1HG2 VAL 50 1HG1 VAL 50 -16.063 10.778 -4.146 403 2HG2 VAL 50 2HG1 VAL 50 -15.259 9.788 -2.928 404 3HG2 VAL 50 3HG1 VAL 50 -14.304 10.801 -4.012 405 H GLU 51 H GLU 51 -19.201 12.280 -1.460 406 HA GLU 51 HA GLU 51 -20.221 12.032 -4.031 407 1HB GLU 51 1HB GLU 51 -22.205 13.217 -3.176 408 2HB GLU 51 2HB GLU 51 -21.642 11.987 -2.053 409 1HG GLU 51 2HG GLU 51 -20.557 13.711 -0.706 410 2HG GLU 51 1HG GLU 51 -21.123 14.944 -1.832 411 H GLU 52 H GLU 52 -20.737 13.483 -5.657 412 HA GLU 52 HA GLU 52 -19.743 16.233 -5.380 413 1HB GLU 52 2HB GLU 52 -19.114 14.356 -7.665 414 2HB GLU 52 1HB GLU 52 -18.766 16.079 -7.665 415 1HG GLU 52 1HG GLU 52 -17.654 14.137 -5.656 416 2HG GLU 52 2HG GLU 52 -16.823 14.622 -7.132 417 H ARG 53 H ARG 53 -21.657 13.931 -7.264 418 HA ARG 53 HA ARG 53 -22.934 15.742 -8.964 419 1HB ARG 53 1HB ARG 53 -22.950 13.227 -9.128 420 2HB ARG 53 2HB ARG 53 -24.145 13.210 -7.840 421 1HG ARG 53 2HG ARG 53 -24.572 14.697 -10.415 422 2HG ARG 53 1HG ARG 53 -25.009 13.001 -10.207 423 1HD ARG 53 2HD ARG 53 -26.040 15.298 -8.547 424 2HD ARG 53 1HD ARG 53 -26.920 14.494 -9.845 425 HE ARG 53 HE ARG 53 -26.134 12.561 -7.981 426 1HH1 ARG 53 1HH1 ARG 53 -28.283 15.294 -8.224 427 2HH1 ARG 53 2HH1 ARG 53 -29.418 14.666 -7.075 428 1HH2 ARG 53 1HH2 ARG 53 -27.625 11.727 -6.471 429 2HH2 ARG 53 2HH2 ARG 53 -29.043 12.640 -6.079 430 H THR 54 H THR 54 -23.908 14.552 -5.760 431 HA THR 54 HA THR 54 -26.370 15.882 -5.613 432 HB THR 54 HB THR 54 -26.199 15.612 -3.170 433 HG1 THR 54 1HG THR 54 -24.148 15.863 -2.559 434 1HG2 THR 54 1HG2 THR 54 -26.600 13.677 -4.916 435 2HG2 THR 54 2HG2 THR 54 -26.446 13.327 -3.195 436 3HG2 THR 54 3HG2 THR 54 -25.071 13.081 -4.270 437 H ARG 55 H ARG 55 -26.929 17.934 -5.264 438 HA ARG 55 HA ARG 55 -24.997 20.003 -5.253 439 1HB ARG 55 1HB ARG 55 -26.849 21.536 -5.060 440 2HB ARG 55 2HB ARG 55 -27.295 20.252 -6.174 441 1HG ARG 55 2HG ARG 55 -28.110 20.312 -3.278 442 2HG ARG 55 1HG ARG 55 -29.094 20.950 -4.595 443 1HD ARG 55 2HD ARG 55 -28.156 18.097 -4.325 444 2HD ARG 55 1HD ARG 55 -29.777 18.685 -3.956 445 HE ARG 55 HE ARG 55 -28.807 17.963 -6.495 446 1HH1 ARG 55 1HH1 ARG 55 -30.742 20.415 -4.946 447 2HH1 ARG 55 2HH1 ARG 55 -31.671 20.759 -6.367 448 1HH2 ARG 55 1HH2 ARG 55 -30.027 18.412 -8.367 449 2HH2 ARG 55 2HH2 ARG 55 -31.264 19.621 -8.309 450 H LYS 56 H LYS 56 -24.199 21.269 -3.625 451 HA LYS 56 HA LYS 56 -25.239 21.325 -0.990 452 1HB LYS 56 2HB LYS 56 -24.005 18.992 -1.355 453 2HB LYS 56 1HB LYS 56 -22.585 19.964 -1.006 454 1HG LYS 56 2HG LYS 56 -24.992 19.691 0.782 455 2HG LYS 56 1HG LYS 56 -23.459 18.843 0.984 456 1HD LYS 56 2HD LYS 56 -22.311 20.983 1.275 457 2HD LYS 56 1HD LYS 56 -23.844 21.834 1.073 458 1HE LYS 56 1HE LYS 56 -23.261 21.623 3.432 459 2HE LYS 56 2HE LYS 56 -24.731 20.727 3.057 460 1HZ LYS 56 1HZ LYS 56 -22.589 19.735 4.373 461 2HZ LYS 56 2HZ LYS 56 -22.339 19.155 2.805 462 3HZ LYS 56 3HZ LYS 56 -23.782 18.806 3.615 463 H LEU 57 H LEU 57 -24.717 23.409 -2.488 464 HA LEU 57 HA LEU 57 -22.103 24.433 -2.502 465 1HB LEU 57 1HB LEU 57 -24.738 25.908 -2.447 466 2HB LEU 57 2HB LEU 57 -23.188 26.639 -2.817 467 HG LEU 57 HG LEU 57 -24.502 24.457 -4.440 468 1HD1 LEU 57 1HD2 LEU 57 -25.137 27.170 -4.321 469 2HD1 LEU 57 2HD2 LEU 57 -25.605 26.016 -5.569 470 3HD1 LEU 57 3HD2 LEU 57 -24.145 26.985 -5.769 471 1HD2 LEU 57 1HD1 LEU 57 -21.897 24.810 -4.338 472 2HD2 LEU 57 2HD1 LEU 57 -22.264 26.157 -5.416 473 3HD2 LEU 57 3HD1 LEU 57 -22.718 24.515 -5.872 474 H SER 1 1HT SER 1 -11.666 -7.315 0.891 475 HA SER 1 HA SER 1 -11.373 -10.216 0.658 476 1HB SER 1 1HB SER 1 -13.589 -9.156 0.646 477 2HB SER 1 2HB SER 1 -13.102 -8.134 -0.706 478 HG SER 1 HG SER 1 -13.837 -10.797 -0.670 479 H GLU 2 H GLU 2 -10.750 -7.229 -1.144 480 HA GLU 2 HA GLU 2 -9.794 -8.593 -3.474 481 1HB GLU 2 2HB GLU 2 -10.804 -6.362 -3.626 482 2HB GLU 2 1HB GLU 2 -9.509 -5.701 -2.637 483 1HG GLU 2 2HG GLU 2 -9.154 -5.201 -4.980 484 2HG GLU 2 1HG GLU 2 -7.887 -6.265 -4.367 485 H ALA 3 H ALA 3 -8.351 -7.056 -0.662 486 HA ALA 3 HA ALA 3 -5.645 -7.423 -1.582 487 1HB ALA 3 1HB ALA 3 -6.691 -6.666 1.145 488 2HB ALA 3 2HB ALA 3 -6.213 -5.544 -0.128 489 3HB ALA 3 3HB ALA 3 -5.007 -6.587 0.626 490 H LEU 4 H LEU 4 -7.997 -9.220 0.030 491 HA LEU 4 HA LEU 4 -6.220 -11.034 1.390 492 1HB LEU 4 2HB LEU 4 -9.188 -10.994 0.859 493 2HB LEU 4 1HB LEU 4 -8.398 -12.271 1.765 494 HG LEU 4 HG LEU 4 -7.972 -10.879 3.595 495 1HD1 LEU 4 1HD2 LEU 4 -8.494 -8.518 1.795 496 2HD1 LEU 4 2HD2 LEU 4 -6.953 -8.993 2.507 497 3HD1 LEU 4 3HD2 LEU 4 -8.261 -8.415 3.540 498 1HD2 LEU 4 1HD1 LEU 4 -10.318 -9.381 3.357 499 2HD2 LEU 4 2HD1 LEU 4 -10.124 -10.964 4.114 500 3HD2 LEU 4 3HD1 LEU 4 -10.582 -10.847 2.413 501 H LYS 5 H LYS 5 -8.283 -11.009 -1.449 502 HA LYS 5 HA LYS 5 -7.517 -13.667 -2.264 503 1HB LYS 5 1HB LYS 5 -9.825 -12.797 -2.569 504 2HB LYS 5 2HB LYS 5 -9.203 -11.598 -3.692 505 1HG LYS 5 1HG LYS 5 -8.797 -14.525 -4.173 506 2HG LYS 5 2HG LYS 5 -10.293 -13.709 -4.638 507 1HD LYS 5 1HD LYS 5 -9.011 -12.139 -6.004 508 2HD LYS 5 2HD LYS 5 -7.517 -12.949 -5.533 509 1HE LYS 5 1HE LYS 5 -8.318 -15.019 -6.573 510 2HE LYS 5 2HE LYS 5 -9.801 -14.199 -7.056 511 1HZ LYS 5 1HZ LYS 5 -7.113 -13.284 -7.903 512 2HZ LYS 5 2HZ LYS 5 -8.613 -12.815 -8.527 513 3HZ LYS 5 3HZ LYS 5 -8.034 -14.380 -8.805 514 H ILE 6 H ILE 6 -6.493 -10.408 -2.853 515 HA ILE 6 HA ILE 6 -5.403 -10.532 -5.391 516 HB ILE 6 HB ILE 6 -5.442 -8.482 -3.949 517 1HG1 ILE 6 1HG1 ILE 6 -2.795 -9.346 -5.131 518 2HG1 ILE 6 2HG1 ILE 6 -4.056 -8.392 -5.910 519 1HG2 ILE 6 1HG2 ILE 6 -4.081 -8.178 -2.127 520 2HG2 ILE 6 2HG2 ILE 6 -2.931 -9.413 -2.639 521 3HG2 ILE 6 3HG2 ILE 6 -4.494 -9.885 -1.973 522 1HD1 ILE 6 1HD1 ILE 6 -3.579 -6.749 -3.930 523 2HD1 ILE 6 2HD1 ILE 6 -2.552 -6.766 -5.366 524 3HD1 ILE 6 3HD1 ILE 6 -2.027 -7.590 -3.892 525 H LEU 7 H LEU 7 -4.069 -11.473 -2.285 526 HA LEU 7 HA LEU 7 -1.859 -12.812 -3.636 527 1HB LEU 7 1HB LEU 7 -0.544 -12.175 -1.935 528 2HB LEU 7 2HB LEU 7 -1.841 -11.060 -1.543 529 HG LEU 7 HG LEU 7 -2.704 -13.140 -0.129 530 1HD1 LEU 7 1HD1 LEU 7 -1.239 -14.821 -0.146 531 2HD1 LEU 7 2HD1 LEU 7 -0.228 -13.799 0.882 532 3HD1 LEU 7 3HD1 LEU 7 0.025 -13.820 -0.864 533 1HD2 LEU 7 1HD2 LEU 7 -2.375 -11.060 0.900 534 2HD2 LEU 7 2HD2 LEU 7 -0.639 -11.082 0.583 535 3HD2 LEU 7 3HD2 LEU 7 -1.331 -12.174 1.783 536 H ASN 8 H ASN 8 -4.852 -13.338 -2.279 537 HA ASN 8 HA ASN 8 -6.024 -15.212 -1.723 538 1HB ASN 8 1HB ASN 8 -3.640 -16.715 -2.833 539 2HB ASN 8 2HB ASN 8 -5.242 -17.385 -2.534 540 1HD2 ASN 8 1HD2 ASN 8 -6.468 -17.564 -4.246 541 2HD2 ASN 8 2HD2 ASN 8 -6.391 -16.575 -5.672 542 H ASN 9 H ASN 9 -4.309 -13.961 0.191 543 HA ASN 9 HA ASN 9 -3.588 -14.221 2.319 544 1HB ASN 9 1HB ASN 9 -4.921 -16.924 2.076 545 2HB ASN 9 2HB ASN 9 -4.382 -16.187 3.584 546 1HD2 ASN 9 2HD2 ASN 9 -5.393 -13.682 1.762 547 2HD2 ASN 9 1HD2 ASN 9 -7.038 -13.582 2.278 548 H ILE 10 H ILE 10 -1.596 -14.521 3.017 549 HA ILE 10 HA ILE 10 0.379 -15.887 1.639 550 HB ILE 10 HB ILE 10 1.768 -15.699 3.674 551 1HG1 ILE 10 1HG1 ILE 10 -0.154 -16.029 5.288 552 2HG1 ILE 10 2HG1 ILE 10 0.952 -14.723 5.692 553 1HG2 ILE 10 1HG2 ILE 10 0.340 -13.461 2.388 554 2HG2 ILE 10 2HG2 ILE 10 2.065 -13.829 2.458 555 3HG2 ILE 10 3HG2 ILE 10 1.266 -13.077 3.842 556 1HD1 ILE 10 1HD1 ILE 10 -0.631 -13.089 4.855 557 2HD1 ILE 10 2HD1 ILE 10 -1.377 -14.114 6.082 558 3HD1 ILE 10 3HD1 ILE 10 -1.733 -14.382 4.375 559 H ARG 11 H ARG 11 -1.828 -17.075 4.061 560 HA ARG 11 HA ARG 11 -0.461 -19.380 4.865 561 1HB ARG 11 1HB ARG 11 -2.696 -20.260 5.468 562 2HB ARG 11 2HB ARG 11 -2.440 -18.615 6.035 563 1HG ARG 11 2HG ARG 11 -3.760 -17.753 4.184 564 2HG ARG 11 1HG ARG 11 -3.989 -19.391 3.570 565 1HD ARG 11 2HD ARG 11 -5.151 -19.996 5.642 566 2HD ARG 11 1HD ARG 11 -4.938 -18.352 6.238 567 HE ARG 11 HE ARG 11 -6.226 -18.208 3.768 568 1HH1 ARG 11 1HH1 ARG 11 -6.839 -19.397 6.985 569 2HH1 ARG 11 2HH1 ARG 11 -8.550 -19.157 6.886 570 1HH2 ARG 11 1HH2 ARG 11 -8.478 -17.888 3.630 571 2HH2 ARG 11 2HH2 ARG 11 -9.483 -18.299 4.979 572 H THR 12 H THR 12 -2.792 -18.912 2.225 573 HA THR 12 HA THR 12 -2.495 -21.612 1.278 574 HB THR 12 HB THR 12 -3.870 -19.237 0.008 575 HG1 THR 12 1HG THR 12 -5.458 -21.252 0.897 576 1HG2 THR 12 1HG2 THR 12 -3.696 -20.587 -1.816 577 2HG2 THR 12 2HG2 THR 12 -5.096 -21.358 -1.069 578 3HG2 THR 12 3HG2 THR 12 -3.489 -22.048 -0.851 579 H LEU 13 H LEU 13 -1.352 -18.413 0.285 580 HA LEU 13 HA LEU 13 -0.224 -19.203 -2.165 581 1HB LEU 13 1HB LEU 13 -0.689 -16.859 -1.502 582 2HB LEU 13 2HB LEU 13 0.661 -16.937 -0.386 583 HG LEU 13 HG LEU 13 0.959 -17.358 -3.359 584 1HD1 LEU 13 1HD2 LEU 13 0.239 -14.983 -2.140 585 2HD1 LEU 13 2HD2 LEU 13 0.961 -15.174 -3.739 586 3HD1 LEU 13 3HD2 LEU 13 1.987 -14.858 -2.340 587 1HD2 LEU 13 1HD1 LEU 13 2.785 -18.295 -2.134 588 2HD2 LEU 13 2HD1 LEU 13 2.920 -16.846 -1.133 589 3HD2 LEU 13 3HD1 LEU 13 3.329 -16.773 -2.846 590 H ARG 14 H ARG 14 1.343 -18.680 0.989 591 HA ARG 14 HA ARG 14 3.924 -19.301 0.347 592 1HB ARG 14 1HB ARG 14 3.332 -18.465 2.525 593 2HB ARG 14 2HB ARG 14 2.385 -19.903 2.875 594 1HG ARG 14 2HG ARG 14 5.304 -20.152 2.323 595 2HG ARG 14 1HG ARG 14 4.743 -19.615 3.907 596 1HD ARG 14 1HD ARG 14 3.402 -21.633 4.129 597 2HD ARG 14 2HD ARG 14 3.917 -22.165 2.530 598 HE ARG 14 HE ARG 14 5.748 -23.043 3.546 599 1HH1 ARG 14 1HH1 ARG 14 4.707 -20.290 5.419 600 2HH1 ARG 14 2HH1 ARG 14 5.960 -20.460 6.601 601 1HH2 ARG 14 1HH2 ARG 14 7.400 -23.269 5.098 602 2HH2 ARG 14 2HH2 ARG 14 7.490 -22.151 6.419 603 H ALA 15 H ALA 15 1.228 -21.464 0.680 604 HA ALA 15 HA ALA 15 2.884 -23.845 0.698 605 1HB ALA 15 1HB ALA 15 0.876 -25.065 0.930 606 2HB ALA 15 2HB ALA 15 -0.093 -23.704 0.369 607 3HB ALA 15 3HB ALA 15 0.713 -23.626 1.937 608 H GLN 16 H GLN 16 0.477 -22.410 -1.514 609 HA GLN 16 HA GLN 16 0.802 -24.335 -3.551 610 1HB GLN 16 2HB GLN 16 -0.331 -22.716 -5.014 611 2HB GLN 16 1HB GLN 16 -1.147 -22.847 -3.461 612 1HG GLN 16 1HG GLN 16 -0.027 -20.801 -2.718 613 2HG GLN 16 2HG GLN 16 0.743 -20.659 -4.295 614 1HE2 GLN 16 2HE2 GLN 16 -1.664 -19.483 -2.482 615 2HE2 GLN 16 1HE2 GLN 16 -2.778 -18.989 -3.718 616 H ALA 17 H ALA 17 2.464 -21.432 -2.735 617 HA ALA 17 HA ALA 17 4.064 -21.388 -5.145 618 1HB ALA 17 1HB ALA 17 3.644 -19.612 -2.833 619 2HB ALA 17 2HB ALA 17 3.850 -19.226 -4.544 620 3HB ALA 17 3HB ALA 17 5.260 -19.595 -3.548 621 H ARG 18 H ARG 18 4.178 -22.623 -1.928 622 HA ARG 18 HA ARG 18 6.837 -22.783 -1.315 623 1HB ARG 18 2HB ARG 18 5.038 -23.645 0.109 624 2HB ARG 18 1HB ARG 18 4.764 -24.963 -1.021 625 1HG ARG 18 2HG ARG 18 6.978 -25.847 -0.547 626 2HG ARG 18 1HG ARG 18 7.277 -24.512 0.570 627 1HD ARG 18 2HD ARG 18 5.384 -25.225 1.930 628 2HD ARG 18 1HD ARG 18 5.079 -26.555 0.816 629 HE ARG 18 HE ARG 18 6.915 -26.565 2.945 630 1HH1 ARG 18 1HH1 ARG 18 6.656 -27.567 -0.384 631 2HH1 ARG 18 2HH1 ARG 18 7.800 -28.856 -0.217 632 1HH2 ARG 18 1HH2 ARG 18 8.419 -28.260 3.170 633 2HH2 ARG 18 2HH2 ARG 18 8.800 -29.251 1.802 634 H GLU 19 H GLU 19 5.075 -24.544 -3.756 635 HA GLU 19 HA GLU 19 7.282 -26.329 -4.330 636 1HB GLU 19 2HB GLU 19 4.680 -25.891 -5.803 637 2HB GLU 19 1HB GLU 19 5.833 -27.176 -6.132 638 1HG GLU 19 2HG GLU 19 5.463 -28.083 -3.896 639 2HG GLU 19 1HG GLU 19 4.307 -26.793 -3.564 640 H SER 20 H SER 20 7.618 -23.362 -4.634 641 HA SER 20 HA SER 20 8.999 -23.456 -7.152 642 1HB SER 20 1HB SER 20 6.664 -21.548 -6.860 643 2HB SER 20 2HB SER 20 7.811 -21.566 -8.198 644 HG SER 20 HG SER 20 6.548 -22.982 -9.068 645 H THR 21 H THR 21 9.059 -20.584 -7.493 646 HA THR 21 HA THR 21 10.899 -19.928 -5.318 647 HB THR 21 HB THR 21 10.458 -18.496 -7.949 648 HG1 THR 21 1HG THR 21 12.375 -19.576 -8.572 649 1HG2 THR 21 1HG2 THR 21 11.833 -17.710 -5.598 650 2HG2 THR 21 2HG2 THR 21 11.806 -16.904 -7.166 651 3HG2 THR 21 3HG2 THR 21 13.048 -18.106 -6.814 652 H LEU 22 H LEU 22 10.870 -17.739 -4.394 653 HA LEU 22 HA LEU 22 8.337 -17.013 -3.473 654 1HB LEU 22 1HB LEU 22 9.422 -15.661 -2.060 655 2HB LEU 22 2HB LEU 22 10.858 -16.465 -2.662 656 HG LEU 22 HG LEU 22 9.804 -13.883 -3.803 657 1HD1 LEU 22 1HD1 LEU 22 10.352 -13.565 -1.458 658 2HD1 LEU 22 2HD1 LEU 22 11.546 -12.775 -2.493 659 3HD1 LEU 22 3HD1 LEU 22 11.932 -14.312 -1.715 660 1HD2 LEU 22 1HD2 LEU 22 12.639 -14.732 -3.966 661 2HD2 LEU 22 2HD2 LEU 22 11.666 -13.792 -5.098 662 3HD2 LEU 22 3HD2 LEU 22 11.472 -15.543 -5.011 663 H GLU 23 H GLU 23 9.829 -16.378 -6.435 664 HA GLU 23 HA GLU 23 9.225 -13.868 -7.217 665 1HB GLU 23 1HB GLU 23 10.151 -15.576 -8.722 666 2HB GLU 23 2HB GLU 23 8.587 -16.372 -8.793 667 1HG GLU 23 2HG GLU 23 7.629 -14.381 -9.846 668 2HG GLU 23 1HG GLU 23 9.209 -13.603 -9.793 669 H THR 24 H THR 24 6.965 -16.318 -6.310 670 HA THR 24 HA THR 24 4.600 -15.470 -7.467 671 HB THR 24 HB THR 24 4.643 -17.504 -6.181 672 HG1 THR 24 1HG THR 24 2.628 -17.178 -5.637 673 1HG2 THR 24 1HG2 THR 24 5.338 -15.697 -3.877 674 2HG2 THR 24 2HG2 THR 24 6.247 -17.074 -4.497 675 3HG2 THR 24 3HG2 THR 24 4.723 -17.334 -3.648 676 H LEU 25 H LEU 25 6.314 -14.182 -4.655 677 HA LEU 25 HA LEU 25 4.265 -12.384 -3.918 678 1HB LEU 25 1HB LEU 25 6.197 -11.143 -2.748 679 2HB LEU 25 2HB LEU 25 5.688 -12.706 -2.160 680 HG LEU 25 HG LEU 25 7.641 -13.740 -3.298 681 1HD1 LEU 25 1HD2 LEU 25 9.336 -11.538 -3.594 682 2HD1 LEU 25 2HD2 LEU 25 7.862 -11.124 -4.468 683 3HD1 LEU 25 3HD2 LEU 25 8.734 -12.611 -4.859 684 1HD2 LEU 25 1HD1 LEU 25 9.224 -12.060 -1.760 685 2HD2 LEU 25 2HD1 LEU 25 8.402 -13.526 -1.223 686 3HD2 LEU 25 3HD1 LEU 25 7.624 -11.956 -1.025 687 H GLU 26 H GLU 26 7.169 -12.043 -5.950 688 HA GLU 26 HA GLU 26 6.827 -9.301 -6.449 689 1HB GLU 26 2HB GLU 26 8.894 -10.282 -7.121 690 2HB GLU 26 1HB GLU 26 8.083 -11.492 -8.113 691 1HG GLU 26 1HG GLU 26 7.367 -9.763 -9.666 692 2HG GLU 26 2HG GLU 26 8.117 -8.529 -8.656 693 H GLU 27 H GLU 27 5.105 -12.091 -7.386 694 HA GLU 27 HA GLU 27 3.791 -10.857 -9.655 695 1HB GLU 27 1HB GLU 27 4.147 -13.240 -9.747 696 2HB GLU 27 2HB GLU 27 3.341 -13.469 -8.202 697 1HG GLU 27 1HG GLU 27 1.878 -14.158 -9.966 698 2HG GLU 27 2HG GLU 27 1.234 -12.698 -9.217 699 H MET 28 H MET 28 2.739 -12.061 -6.469 700 HA MET 28 HA MET 28 0.280 -10.531 -6.668 701 1HB MET 28 1HB MET 28 1.223 -12.374 -4.472 702 2HB MET 28 2HB MET 28 -0.394 -11.706 -4.640 703 1HG MET 28 1HG MET 28 0.942 -13.622 -6.536 704 2HG MET 28 2HG MET 28 -0.322 -14.013 -5.370 705 1HE MET 28 1HE MET 28 -0.860 -14.511 -8.911 706 2HE MET 28 2HE MET 28 -2.490 -14.567 -8.242 707 3HE MET 28 3HE MET 28 -1.136 -15.217 -7.319 708 H LEU 29 H LEU 29 3.083 -10.742 -4.531 709 HA LEU 29 HA LEU 29 2.289 -8.772 -2.684 710 1HB LEU 29 2HB LEU 29 3.961 -10.327 -2.074 711 2HB LEU 29 1HB LEU 29 4.979 -9.910 -3.432 712 HG LEU 29 HG LEU 29 5.322 -7.649 -2.355 713 1HD1 LEU 29 1HD2 LEU 29 3.184 -8.242 -0.854 714 2HD1 LEU 29 2HD2 LEU 29 4.434 -7.098 -0.363 715 3HD1 LEU 29 3HD2 LEU 29 4.472 -8.756 0.236 716 1HD2 LEU 29 1HD1 LEU 29 6.630 -8.779 -0.346 717 2HD2 LEU 29 2HD1 LEU 29 7.158 -8.973 -2.019 718 3HD2 LEU 29 3HD1 LEU 29 6.229 -10.251 -1.233 719 H GLU 30 H GLU 30 4.180 -8.491 -5.678 720 HA GLU 30 HA GLU 30 4.930 -5.793 -5.360 721 1HB GLU 30 1HB GLU 30 6.010 -7.151 -7.032 722 2HB GLU 30 2HB GLU 30 4.484 -7.426 -7.860 723 1HG GLU 30 1HG GLU 30 4.362 -5.053 -8.428 724 2HG GLU 30 2HG GLU 30 5.896 -4.780 -7.600 725 H LYS 31 H LYS 31 1.991 -7.294 -6.515 726 HA LYS 31 HA LYS 31 0.893 -4.771 -7.445 727 1HB LYS 31 1HB LYS 31 -0.668 -7.315 -7.119 728 2HB LYS 31 2HB LYS 31 -0.897 -6.021 -8.292 729 1HG LYS 31 1HG LYS 31 1.384 -7.975 -8.221 730 2HG LYS 31 2HG LYS 31 0.023 -8.001 -9.350 731 1HD LYS 31 1HD LYS 31 0.728 -5.918 -10.325 732 2HD LYS 31 2HD LYS 31 1.981 -5.720 -9.095 733 1HE LYS 31 2HE LYS 31 2.929 -6.499 -11.203 734 2HE LYS 31 1HE LYS 31 3.129 -7.700 -9.927 735 1HZ LYS 31 1HZ LYS 31 0.708 -8.015 -11.457 736 2HZ LYS 31 2HZ LYS 31 1.865 -9.166 -11.014 737 3HZ LYS 31 3HZ LYS 31 2.117 -8.196 -12.377 738 H LEU 32 H LEU 32 0.960 -6.776 -4.689 739 HA LEU 32 HA LEU 32 -1.363 -5.831 -3.378 740 1HB LEU 32 1HB LEU 32 -0.110 -7.927 -2.848 741 2HB LEU 32 2HB LEU 32 1.141 -6.929 -2.128 742 HG LEU 32 HG LEU 32 -0.339 -6.137 -0.426 743 1HD1 LEU 32 1HD1 LEU 32 -2.352 -6.576 -2.267 744 2HD1 LEU 32 2HD1 LEU 32 -2.556 -6.063 -0.593 745 3HD1 LEU 32 3HD1 LEU 32 -2.656 -7.774 -1.009 746 1HD2 LEU 32 1HD2 LEU 32 -0.745 -8.134 0.783 747 2HD2 LEU 32 2HD2 LEU 32 0.693 -8.405 -0.198 748 3HD2 LEU 32 3HD2 LEU 32 -0.857 -9.083 -0.698 749 H GLU 33 H GLU 33 1.856 -4.632 -3.811 750 HA GLU 33 HA GLU 33 1.591 -2.684 -1.664 751 1HB GLU 33 1HB GLU 33 3.769 -1.883 -2.270 752 2HB GLU 33 2HB GLU 33 3.813 -3.639 -2.249 753 1HG GLU 33 1HG GLU 33 3.923 -3.785 -4.580 754 2HG GLU 33 2HG GLU 33 3.382 -2.119 -4.795 755 H VAL 34 H VAL 34 1.400 -2.794 -5.191 756 HA VAL 34 HA VAL 34 1.086 0.034 -5.474 757 HB VAL 34 HB VAL 34 0.430 -0.382 -7.769 758 1HG1 VAL 34 1HG1 VAL 34 2.474 -1.113 -8.538 759 2HG1 VAL 34 2HG1 VAL 34 2.609 -2.368 -7.307 760 3HG1 VAL 34 3HG1 VAL 34 2.858 -0.677 -6.873 761 1HG2 VAL 34 1HG2 VAL 34 0.755 -3.261 -7.806 762 2HG2 VAL 34 2HG2 VAL 34 -0.515 -2.257 -8.504 763 3HG2 VAL 34 3HG2 VAL 34 -0.615 -2.759 -6.817 764 H VAL 35 H VAL 35 -1.104 -2.709 -5.154 765 HA VAL 35 HA VAL 35 -3.511 -1.431 -5.753 766 HB VAL 35 HB VAL 35 -3.432 -3.850 -5.412 767 1HG1 VAL 35 1HG1 VAL 35 -3.578 -4.066 -2.592 768 2HG1 VAL 35 2HG1 VAL 35 -2.122 -3.155 -2.991 769 3HG1 VAL 35 3HG1 VAL 35 -2.380 -4.755 -3.686 770 1HG2 VAL 35 1HG2 VAL 35 -5.269 -3.547 -3.295 771 2HG2 VAL 35 2HG2 VAL 35 -5.607 -3.689 -5.021 772 3HG2 VAL 35 3HG2 VAL 35 -5.381 -2.099 -4.294 773 H VAL 36 H VAL 36 -1.803 -1.762 -2.654 774 HA VAL 36 HA VAL 36 -3.660 0.016 -1.355 775 HB VAL 36 HB VAL 36 -2.480 -1.810 -0.116 776 1HG1 VAL 36 1HG1 VAL 36 -0.138 -0.196 -0.876 777 2HG1 VAL 36 2HG1 VAL 36 -0.288 -1.936 -0.631 778 3HG1 VAL 36 3HG1 VAL 36 -0.154 -0.859 0.759 779 1HG2 VAL 36 1HG2 VAL 36 -1.759 -0.034 1.760 780 2HG2 VAL 36 2HG2 VAL 36 -3.432 -0.464 1.404 781 3HG2 VAL 36 3HG2 VAL 36 -2.727 0.996 0.703 782 H ASN 37 H ASN 37 -0.521 0.205 -2.886 783 HA ASN 37 HA ASN 37 0.541 2.539 -1.977 784 1HB ASN 37 1HB ASN 37 1.630 1.277 -3.738 785 2HB ASN 37 2HB ASN 37 0.314 1.628 -4.855 786 1HD2 ASN 37 1HD2 ASN 37 0.860 3.038 -6.315 787 2HD2 ASN 37 2HD2 ASN 37 1.901 4.410 -6.085 788 H GLU 38 H GLU 38 -2.111 2.157 -4.258 789 HA GLU 38 HA GLU 38 -2.529 4.912 -4.758 790 1HB GLU 38 2HB GLU 38 -4.488 2.612 -4.907 791 2HB GLU 38 1HB GLU 38 -4.738 4.211 -5.597 792 1HG GLU 38 1HG GLU 38 -2.833 3.868 -7.085 793 2HG GLU 38 2HG GLU 38 -2.583 2.265 -6.394 794 H ARG 39 H ARG 39 -3.875 2.618 -2.430 795 HA ARG 39 HA ARG 39 -5.652 4.529 -1.239 796 1HB ARG 39 2HB ARG 39 -4.679 1.850 -0.249 797 2HB ARG 39 1HB ARG 39 -5.869 2.834 0.572 798 1HG ARG 39 2HG ARG 39 -6.977 1.120 -0.650 799 2HG ARG 39 1HG ARG 39 -7.330 2.681 -1.394 800 1HD ARG 39 2HD ARG 39 -5.333 2.118 -2.934 801 2HD ARG 39 1HD ARG 39 -5.595 0.464 -2.379 802 HE ARG 39 HE ARG 39 -7.298 0.377 -3.880 803 1HH1 ARG 39 1HH1 ARG 39 -7.019 3.656 -2.730 804 2HH1 ARG 39 2HH1 ARG 39 -8.311 4.251 -3.720 805 1HH2 ARG 39 1HH2 ARG 39 -9.004 1.153 -5.186 806 2HH2 ARG 39 2HH2 ARG 39 -9.439 2.828 -5.115 807 H ARG 40 H ARG 40 -2.577 3.088 -0.257 808 HA ARG 40 HA ARG 40 -2.156 4.226 2.167 809 1HB ARG 40 1HB ARG 40 -0.402 3.320 -0.038 810 2HB ARG 40 2HB ARG 40 0.357 4.377 1.146 811 1HG ARG 40 1HG ARG 40 -0.954 1.713 1.631 812 2HG ARG 40 2HG ARG 40 0.765 2.111 1.767 813 1HD ARG 40 1HD ARG 40 -1.481 3.142 3.504 814 2HD ARG 40 2HD ARG 40 -0.232 1.990 3.970 815 HE ARG 40 HE ARG 40 1.023 4.331 3.105 816 1HH1 ARG 40 1HH1 ARG 40 -1.024 3.236 5.703 817 2HH1 ARG 40 2HH1 ARG 40 -0.408 4.383 6.845 818 1HH2 ARG 40 1HH2 ARG 40 1.839 5.846 4.600 819 2HH2 ARG 40 2HH2 ARG 40 1.219 5.868 6.219 820 H GLU 41 H GLU 41 -1.672 5.744 -1.003 821 HA GLU 41 HA GLU 41 -0.799 8.219 0.236 822 1HB GLU 41 2HB GLU 41 -0.484 9.035 -2.039 823 2HB GLU 41 1HB GLU 41 0.300 7.479 -1.807 824 1HG GLU 41 1HG GLU 41 -1.568 6.373 -2.931 825 2HG GLU 41 2HG GLU 41 -2.341 7.940 -3.175 826 H GLU 42 H GLU 42 -3.589 7.167 -1.734 827 HA GLU 42 HA GLU 42 -4.832 9.768 -1.454 828 1HB GLU 42 2HB GLU 42 -5.819 7.246 -2.787 829 2HB GLU 42 1HB GLU 42 -6.625 8.807 -2.853 830 1HG GLU 42 1HG GLU 42 -4.676 9.762 -3.981 831 2HG GLU 42 2HG GLU 42 -3.883 8.189 -3.929 832 H GLU 43 H GLU 43 -5.491 6.469 -0.368 833 HA GLU 43 HA GLU 43 -7.938 6.982 0.874 834 1HB GLU 43 2HB GLU 43 -7.217 4.728 0.445 835 2HB GLU 43 1HB GLU 43 -5.848 4.921 1.529 836 1HG GLU 43 1HG GLU 43 -7.747 3.618 2.452 837 2HG GLU 43 2HG GLU 43 -7.249 4.995 3.434 838 H SER 44 H SER 44 -4.636 7.098 2.187 839 HA SER 44 HA SER 44 -5.335 7.750 4.829 840 1HB SER 44 1HB SER 44 -2.891 8.601 3.238 841 2HB SER 44 2HB SER 44 -3.052 8.719 4.991 842 HG SER 44 HG SER 44 -1.944 6.824 4.378 843 H ALA 45 H ALA 45 -5.022 9.585 1.898 844 HA ALA 45 HA ALA 45 -5.223 12.193 2.958 845 1HB ALA 45 1HB ALA 45 -6.290 12.423 0.473 846 2HB ALA 45 2HB ALA 45 -5.401 10.905 0.314 847 3HB ALA 45 3HB ALA 45 -4.558 12.376 0.807 848 H ALA 46 H ALA 46 -7.599 9.834 1.821 849 HA ALA 46 HA ALA 46 -9.889 11.456 2.017 850 1HB ALA 46 1HB ALA 46 -10.230 9.520 0.796 851 2HB ALA 46 2HB ALA 46 -11.024 9.133 2.322 852 3HB ALA 46 3HB ALA 46 -9.413 8.503 1.983 853 H ALA 47 H ALA 47 -8.273 9.319 4.314 854 HA ALA 47 HA ALA 47 -10.144 9.441 6.392 855 1HB ALA 47 1HB ALA 47 -7.801 9.183 7.733 856 2HB ALA 47 2HB ALA 47 -7.323 8.670 6.114 857 3HB ALA 47 3HB ALA 47 -8.650 7.854 6.943 858 H ALA 48 H ALA 48 -7.508 11.593 5.501 859 HA ALA 48 HA ALA 48 -7.718 13.231 7.839 860 1HB ALA 48 1HB ALA 48 -5.947 14.401 7.007 861 2HB ALA 48 2HB ALA 48 -6.513 14.293 5.341 862 3HB ALA 48 3HB ALA 48 -5.749 12.900 6.104 863 H GLU 49 H GLU 49 -8.819 13.545 4.476 864 HA GLU 49 HA GLU 49 -10.060 16.085 4.942 865 1HB GLU 49 1HB GLU 49 -10.878 15.910 2.662 866 2HB GLU 49 2HB GLU 49 -9.179 15.469 2.733 867 1HG GLU 49 2HG GLU 49 -10.149 13.919 1.289 868 2HG GLU 49 1HG GLU 49 -9.958 13.059 2.815 869 H VAL 50 H VAL 50 -10.907 13.127 6.008 870 HA VAL 50 HA VAL 50 -13.519 12.615 5.412 871 HB VAL 50 HB VAL 50 -12.142 11.266 6.975 872 1HG1 VAL 50 1HG1 VAL 50 -12.319 11.970 9.427 873 2HG1 VAL 50 2HG1 VAL 50 -12.690 13.580 8.808 874 3HG1 VAL 50 3HG1 VAL 50 -11.147 12.819 8.417 875 1HG2 VAL 50 1HG2 VAL 50 -14.949 11.896 7.218 876 2HG2 VAL 50 2HG2 VAL 50 -14.280 11.336 8.751 877 3HG2 VAL 50 3HG2 VAL 50 -14.133 10.334 7.306 878 H GLU 51 H GLU 51 -12.273 15.200 7.416 879 HA GLU 51 HA GLU 51 -13.224 17.094 8.232 880 1HB GLU 51 1HB GLU 51 -14.268 17.328 6.045 881 2HB GLU 51 2HB GLU 51 -15.571 16.252 6.526 882 1HG GLU 51 1HG GLU 51 -16.283 17.871 8.213 883 2HG GLU 51 2HG GLU 51 -14.984 18.953 7.713 884 H GLU 52 H GLU 52 -14.046 17.521 10.162 885 HA GLU 52 HA GLU 52 -16.412 16.535 11.259 886 1HB GLU 52 1HB GLU 52 -15.514 14.955 12.949 887 2HB GLU 52 2HB GLU 52 -15.367 14.357 11.304 888 1HG GLU 52 2HG GLU 52 -13.012 15.012 11.277 889 2HG GLU 52 1HG GLU 52 -13.162 15.598 12.934 890 H ARG 53 H ARG 53 -15.399 19.004 11.189 891 HA ARG 53 HA ARG 53 -15.194 19.682 13.981 892 1HB ARG 53 2HB ARG 53 -12.847 19.255 13.488 893 2HB ARG 53 1HB ARG 53 -12.920 20.324 12.094 894 1HG ARG 53 2HG ARG 53 -13.365 22.219 13.582 895 2HG ARG 53 1HG ARG 53 -13.254 21.139 14.973 896 1HD ARG 53 1HD ARG 53 -10.944 20.625 14.415 897 2HD ARG 53 2HD ARG 53 -11.048 21.646 12.981 898 HE ARG 53 HE ARG 53 -10.460 22.506 15.590 899 1HH1 ARG 53 1HH1 ARG 53 -12.360 23.436 12.817 900 2HH1 ARG 53 2HH1 ARG 53 -12.312 25.126 13.193 901 1HH2 ARG 53 1HH2 ARG 53 -10.395 24.729 16.088 902 2HH2 ARG 53 2HH2 ARG 53 -11.196 25.860 15.049 903 H THR 54 H THR 54 -15.120 20.726 10.615 904 HA THR 54 HA THR 54 -15.582 23.442 10.908 905 HB THR 54 HB THR 54 -16.642 23.379 8.685 906 HG1 THR 54 1HG THR 54 -17.180 21.466 7.741 907 1HG2 THR 54 1HG2 THR 54 -14.076 22.985 9.197 908 2HG2 THR 54 2HG2 THR 54 -14.706 22.897 7.552 909 3HG2 THR 54 3HG2 THR 54 -14.413 21.416 8.463 910 H ARG 55 H ARG 55 -17.381 24.719 11.072 911 HA ARG 55 HA ARG 55 -19.549 23.645 12.588 912 1HB ARG 55 1HB ARG 55 -19.147 26.402 11.424 913 2HB ARG 55 2HB ARG 55 -20.357 25.966 12.623 914 1HG ARG 55 2HG ARG 55 -18.709 25.539 14.266 915 2HG ARG 55 1HG ARG 55 -17.407 25.610 13.077 916 1HD ARG 55 2HD ARG 55 -17.829 27.970 12.720 917 2HD ARG 55 1HD ARG 55 -19.180 27.920 13.853 918 HE ARG 55 HE ARG 55 -16.879 27.012 15.166 919 1HH1 ARG 55 1HH1 ARG 55 -18.178 29.942 13.798 920 2HH1 ARG 55 2HH1 ARG 55 -17.313 30.982 14.879 921 1HH2 ARG 55 1HH2 ARG 55 -15.736 28.374 16.592 922 2HH2 ARG 55 2HH2 ARG 55 -15.925 30.092 16.467 923 H LYS 56 H LYS 56 -19.517 22.407 10.058 924 HA LYS 56 HA LYS 56 -21.375 23.596 8.268 925 1HB LYS 56 2HB LYS 56 -20.414 20.751 8.589 926 2HB LYS 56 1HB LYS 56 -21.525 21.251 7.321 927 1HG LYS 56 2HG LYS 56 -18.745 22.340 7.725 928 2HG LYS 56 1HG LYS 56 -19.207 21.116 6.540 929 1HD LYS 56 2HD LYS 56 -20.759 22.734 5.510 930 2HD LYS 56 1HD LYS 56 -20.221 23.956 6.664 931 1HE LYS 56 2HE LYS 56 -19.081 24.242 4.544 932 2HE LYS 56 1HE LYS 56 -17.937 23.758 5.795 933 1HZ LYS 56 1HZ LYS 56 -18.461 21.392 4.884 934 2HZ LYS 56 2HZ LYS 56 -17.348 22.383 4.083 935 3HZ LYS 56 3HZ LYS 56 -18.926 22.231 3.491 936 H LEU 57 H LEU 57 -23.550 23.495 8.180 937 HA LEU 57 HA LEU 57 -25.134 21.506 9.409 938 1HB LEU 57 1HB LEU 57 -24.395 22.637 11.462 939 2HB LEU 57 2HB LEU 57 -25.018 24.157 10.850 940 HG LEU 57 HG LEU 57 -27.305 23.204 10.881 941 1HD1 LEU 57 1HD1 LEU 57 -26.618 20.835 10.638 942 2HD1 LEU 57 2HD1 LEU 57 -27.748 21.102 11.966 943 3HD1 LEU 57 3HD1 LEU 57 -26.033 20.869 12.302 944 1HD2 LEU 57 1HD2 LEU 57 -27.193 24.355 12.796 945 2HD2 LEU 57 2HD2 LEU 57 -25.616 23.687 13.219 946 3HD2 LEU 57 3HD2 LEU 57 -27.084 22.771 13.563 Start of MODEL 4 1 H SER 1 1HT SER 1 5.720 6.829 1.906 2 HA SER 1 HA SER 1 5.169 4.977 -0.338 3 1HB SER 1 2HB SER 1 7.146 6.426 -0.583 4 2HB SER 1 1HB SER 1 7.737 5.890 0.990 5 HG SER 1 HG SER 1 8.365 4.808 -1.214 6 H GLU 2 H GLU 2 3.850 4.476 2.030 7 HA GLU 2 HA GLU 2 5.415 2.738 3.703 8 1HB GLU 2 2HB GLU 2 3.555 4.079 4.614 9 2HB GLU 2 1HB GLU 2 2.425 3.168 3.622 10 1HG GLU 2 1HG GLU 2 3.013 1.124 4.815 11 2HG GLU 2 2HG GLU 2 4.158 2.029 5.804 12 H ALA 3 H ALA 3 3.384 2.403 0.917 13 HA ALA 3 HA ALA 3 2.935 -0.434 1.207 14 1HB ALA 3 1HB ALA 3 2.545 1.388 -1.168 15 2HB ALA 3 2HB ALA 3 1.320 0.962 0.023 16 3HB ALA 3 3HB ALA 3 1.978 -0.276 -1.046 17 H LEU 4 H LEU 4 5.240 1.643 -0.179 18 HA LEU 4 HA LEU 4 6.492 -0.341 -1.848 19 1HB LEU 4 1HB LEU 4 7.366 2.443 -1.089 20 2HB LEU 4 2HB LEU 4 8.021 1.479 -2.403 21 HG LEU 4 HG LEU 4 6.589 2.980 -3.480 22 1HD1 LEU 4 1HD1 LEU 4 5.136 0.413 -2.942 23 2HD1 LEU 4 2HD1 LEU 4 6.094 0.860 -4.357 24 3HD1 LEU 4 3HD1 LEU 4 4.527 1.623 -4.073 25 1HD2 LEU 4 1HD2 LEU 4 5.557 3.851 -1.398 26 2HD2 LEU 4 2HD2 LEU 4 4.466 2.466 -1.396 27 3HD2 LEU 4 3HD2 LEU 4 4.405 3.636 -2.715 28 H LYS 5 H LYS 5 7.006 1.259 1.195 29 HA LYS 5 HA LYS 5 9.557 -0.001 1.674 30 1HB LYS 5 2HB LYS 5 9.277 2.280 2.411 31 2HB LYS 5 1HB LYS 5 7.849 1.853 3.342 32 1HG LYS 5 1HG LYS 5 10.522 0.647 3.956 33 2HG LYS 5 2HG LYS 5 10.046 2.225 4.593 34 1HD LYS 5 2HD LYS 5 8.441 -0.299 4.945 35 2HD LYS 5 1HD LYS 5 9.593 0.315 6.136 36 1HE LYS 5 2HE LYS 5 8.297 2.386 6.311 37 2HE LYS 5 1HE LYS 5 7.149 1.767 5.125 38 1HZ LYS 5 1HZ LYS 5 6.085 0.653 6.701 39 2HZ LYS 5 2HZ LYS 5 7.043 1.435 7.854 40 3HZ LYS 5 3HZ LYS 5 7.508 -0.078 7.254 41 H ILE 6 H ILE 6 6.212 -0.515 2.496 42 HA ILE 6 HA ILE 6 6.412 -2.025 4.803 43 HB ILE 6 HB ILE 6 4.251 -1.342 3.862 44 1HG1 ILE 6 1HG1 ILE 6 4.604 -3.456 5.313 45 2HG1 ILE 6 2HG1 ILE 6 3.037 -3.218 4.550 46 1HG2 ILE 6 1HG2 ILE 6 3.288 -2.333 1.928 47 2HG2 ILE 6 2HG2 ILE 6 4.641 -3.449 1.755 48 3HG2 ILE 6 3HG2 ILE 6 4.883 -1.723 1.494 49 1HD1 ILE 6 1HD1 ILE 6 4.844 -4.728 2.872 50 2HD1 ILE 6 2HD1 ILE 6 3.222 -5.131 3.435 51 3HD1 ILE 6 3HD1 ILE 6 4.621 -5.484 4.450 52 H LEU 7 H LEU 7 6.421 -3.098 1.455 53 HA LEU 7 HA LEU 7 7.473 -5.678 2.270 54 1HB LEU 7 1HB LEU 7 6.416 -6.529 0.476 55 2HB LEU 7 2HB LEU 7 5.575 -4.992 0.428 56 HG LEU 7 HG LEU 7 7.574 -4.275 -1.116 57 1HD1 LEU 7 1HD1 LEU 7 8.055 -7.087 -0.760 58 2HD1 LEU 7 2HD1 LEU 7 9.021 -5.886 -1.616 59 3HD1 LEU 7 3HD1 LEU 7 7.716 -6.732 -2.456 60 1HD2 LEU 7 1HD2 LEU 7 5.088 -5.786 -1.693 61 2HD2 LEU 7 2HD2 LEU 7 6.208 -5.489 -3.024 62 3HD2 LEU 7 3HD2 LEU 7 5.539 -4.131 -2.116 63 H ASN 8 H ASN 8 8.506 -2.667 1.363 64 HA ASN 8 HA ASN 8 10.525 -1.797 0.761 65 1HB ASN 8 1HB ASN 8 11.587 -4.586 1.280 66 2HB ASN 8 2HB ASN 8 12.547 -3.112 1.167 67 1HD2 ASN 8 1HD2 ASN 8 13.120 -2.279 3.024 68 2HD2 ASN 8 2HD2 ASN 8 12.262 -2.431 4.527 69 H ASN 9 H ASN 9 8.761 -3.064 -1.223 70 HA ASN 9 HA ASN 9 8.707 -3.447 -3.456 71 1HB ASN 9 1HB ASN 9 11.562 -2.460 -3.327 72 2HB ASN 9 2HB ASN 9 10.652 -2.715 -4.815 73 1HD2 ASN 9 2HD2 ASN 9 8.399 -1.725 -2.706 74 2HD2 ASN 9 1HD2 ASN 9 8.453 -0.020 -2.978 75 H ILE 10 H ILE 10 8.719 -5.274 -4.551 76 HA ILE 10 HA ILE 10 9.968 -7.609 -3.643 77 HB ILE 10 HB ILE 10 9.211 -8.670 -5.686 78 1HG1 ILE 10 1HG1 ILE 10 9.813 -6.756 -7.200 79 2HG1 ILE 10 2HG1 ILE 10 8.240 -7.478 -7.524 80 1HG2 ILE 10 1HG2 ILE 10 6.752 -7.611 -5.561 81 2HG2 ILE 10 2HG2 ILE 10 7.444 -6.932 -4.087 82 3HG2 ILE 10 3HG2 ILE 10 7.417 -8.681 -4.324 83 1HD1 ILE 10 1HD1 ILE 10 8.716 -4.919 -6.017 84 2HD1 ILE 10 2HD1 ILE 10 7.145 -5.638 -6.372 85 3HD1 ILE 10 3HD1 ILE 10 8.166 -5.056 -7.686 86 H ARG 11 H ARG 11 11.158 -5.104 -5.693 87 HA ARG 11 HA ARG 11 12.993 -6.528 -7.247 88 1HB ARG 11 1HB ARG 11 14.179 -4.369 -7.499 89 2HB ARG 11 2HB ARG 11 12.447 -4.243 -7.775 90 1HG ARG 11 1HG ARG 11 12.177 -3.355 -5.491 91 2HG ARG 11 2HG ARG 11 13.928 -3.409 -5.292 92 1HD ARG 11 2HD ARG 11 14.191 -1.874 -7.178 93 2HD ARG 11 1HD ARG 11 12.440 -1.815 -7.373 94 HE ARG 11 HE ARG 11 13.059 -1.084 -4.746 95 1HH1 ARG 11 1HH1 ARG 11 13.462 0.108 -7.995 96 2HH1 ARG 11 2HH1 ARG 11 13.466 1.773 -7.520 97 1HH2 ARG 11 1HH2 ARG 11 13.061 1.106 -4.113 98 2HH2 ARG 11 2HH2 ARG 11 13.239 2.341 -5.314 99 H THR 12 H THR 12 13.629 -4.775 -4.181 100 HA THR 12 HA THR 12 16.262 -5.930 -3.999 101 HB THR 12 HB THR 12 15.757 -3.658 -3.095 102 HG1 THR 12 1HG THR 12 17.343 -5.449 -2.155 103 1HG2 THR 12 1HG2 THR 12 13.635 -4.974 -1.834 104 2HG2 THR 12 2HG2 THR 12 14.128 -3.295 -1.619 105 3HG2 THR 12 3HG2 THR 12 14.755 -4.542 -0.543 106 H LEU 13 H LEU 13 13.088 -6.567 -2.695 107 HA LEU 13 HA LEU 13 13.807 -8.286 -0.599 108 1HB LEU 13 2HB LEU 13 11.541 -7.292 -1.001 109 2HB LEU 13 1HB LEU 13 11.319 -8.446 -2.301 110 HG LEU 13 HG LEU 13 11.793 -9.237 0.575 111 1HD1 LEU 13 1HD1 LEU 13 9.175 -9.212 -0.907 112 2HD1 LEU 13 2HD1 LEU 13 9.680 -7.942 0.208 113 3HD1 LEU 13 3HD1 LEU 13 9.451 -9.590 0.794 114 1HD2 LEU 13 1HD2 LEU 13 12.410 -10.926 -1.098 115 2HD2 LEU 13 2HD2 LEU 13 10.788 -10.816 -1.788 116 3HD2 LEU 13 3HD2 LEU 13 11.007 -11.416 -0.144 117 H ARG 14 H ARG 14 13.058 -8.949 -4.007 118 HA ARG 14 HA ARG 14 13.083 -11.655 -4.131 119 1HB ARG 14 1HB ARG 14 12.760 -10.338 -6.114 120 2HB ARG 14 2HB ARG 14 14.370 -9.652 -5.988 121 1HG ARG 14 1HG ARG 14 14.405 -11.240 -7.739 122 2HG ARG 14 2HG ARG 14 15.292 -11.935 -6.379 123 1HD ARG 14 1HD ARG 14 13.312 -13.215 -5.748 124 2HD ARG 14 2HD ARG 14 12.432 -12.525 -7.111 125 HE ARG 14 HE ARG 14 14.802 -13.762 -8.018 126 1HH1 ARG 14 1HH1 ARG 14 11.637 -14.495 -6.791 127 2HH1 ARG 14 2HH1 ARG 14 11.545 -16.038 -7.573 128 1HH2 ARG 14 1HH2 ARG 14 14.701 -15.786 -9.061 129 2HH2 ARG 14 2HH2 ARG 14 13.291 -16.774 -8.867 130 H ALA 15 H ALA 15 15.841 -9.530 -3.787 131 HA ALA 15 HA ALA 15 17.752 -11.718 -3.816 132 1HB ALA 15 1HB ALA 15 18.321 -8.862 -3.122 133 2HB ALA 15 2HB ALA 15 18.154 -9.408 -4.792 134 3HB ALA 15 3HB ALA 15 19.424 -10.076 -3.766 135 H GLN 16 H GLN 16 16.390 -9.394 -1.551 136 HA GLN 16 HA GLN 16 17.924 -9.909 0.692 137 1HB GLN 16 1HB GLN 16 16.226 -8.091 0.394 138 2HB GLN 16 2HB GLN 16 14.963 -9.299 0.583 139 1HG GLN 16 2HG GLN 16 16.023 -9.810 2.834 140 2HG GLN 16 1HG GLN 16 16.918 -8.310 2.602 141 1HE2 GLN 16 1HE2 GLN 16 13.922 -8.115 1.105 142 2HE2 GLN 16 2HE2 GLN 16 13.063 -7.281 2.360 143 H ALA 17 H ALA 17 15.085 -11.435 -0.561 144 HA ALA 17 HA ALA 17 14.964 -13.417 1.545 145 1HB ALA 17 1HB ALA 17 13.081 -14.173 -0.219 146 2HB ALA 17 2HB ALA 17 13.201 -12.448 -0.592 147 3HB ALA 17 3HB ALA 17 12.821 -12.975 1.052 148 H ARG 18 H ARG 18 16.275 -13.010 -1.582 149 HA ARG 18 HA ARG 18 16.214 -15.460 -2.772 150 1HB ARG 18 2HB ARG 18 17.383 -13.498 -3.703 151 2HB ARG 18 1HB ARG 18 18.665 -13.703 -2.517 152 1HG ARG 18 1HG ARG 18 19.369 -14.585 -4.641 153 2HG ARG 18 2HG ARG 18 19.174 -15.908 -3.489 154 1HD ARG 18 1HD ARG 18 16.980 -16.413 -4.440 155 2HD ARG 18 2HD ARG 18 17.170 -15.087 -5.587 156 HE ARG 18 HE ARG 18 19.352 -16.830 -5.849 157 1HH1 ARG 18 1HH1 ARG 18 15.921 -16.734 -6.448 158 2HH1 ARG 18 2HH1 ARG 18 15.989 -17.860 -7.762 159 1HH2 ARG 18 1HH2 ARG 18 19.451 -18.314 -7.576 160 2HH2 ARG 18 2HH2 ARG 18 17.996 -18.760 -8.402 161 H GLU 19 H GLU 19 17.917 -14.542 0.110 162 HA GLU 19 HA GLU 19 19.306 -17.112 0.232 163 1HB GLU 19 2HB GLU 19 20.411 -16.171 2.231 164 2HB GLU 19 1HB GLU 19 20.620 -15.163 0.807 165 1HG GLU 19 2HG GLU 19 18.860 -13.670 1.601 166 2HG GLU 19 1HG GLU 19 18.649 -14.681 3.030 167 H SER 20 H SER 20 16.425 -17.133 0.440 168 HA SER 20 HA SER 20 16.167 -18.769 2.747 169 1HB SER 20 2HB SER 20 14.512 -17.412 3.980 170 2HB SER 20 1HB SER 20 16.084 -16.616 3.906 171 HG SER 20 HG SER 20 15.032 -15.002 3.090 172 H THR 21 H THR 21 13.425 -18.581 3.181 173 HA THR 21 HA THR 21 12.403 -19.700 0.679 174 HB THR 21 HB THR 21 11.167 -19.806 3.440 175 HG1 THR 21 1HG THR 21 13.195 -21.267 2.254 176 1HG2 THR 21 1HG2 THR 21 10.195 -20.544 0.863 177 2HG2 THR 21 2HG2 THR 21 9.413 -20.738 2.432 178 3HG2 THR 21 3HG2 THR 21 10.461 -22.011 1.804 179 H LEU 22 H LEU 22 10.033 -19.257 0.194 180 HA LEU 22 HA LEU 22 9.626 -16.529 -0.184 181 1HB LEU 22 1HB LEU 22 7.936 -17.177 -1.491 182 2HB LEU 22 2HB LEU 22 8.480 -18.810 -1.164 183 HG LEU 22 HG LEU 22 6.371 -17.399 0.455 184 1HD1 LEU 22 1HD1 LEU 22 5.330 -17.568 -1.594 185 2HD1 LEU 22 2HD1 LEU 22 4.882 -19.089 -0.818 186 3HD1 LEU 22 3HD1 LEU 22 6.176 -19.058 -2.015 187 1HD2 LEU 22 1HD2 LEU 22 6.077 -19.293 1.632 188 2HD2 LEU 22 2HD2 LEU 22 7.789 -19.494 1.247 189 3HD2 LEU 22 3HD2 LEU 22 6.567 -20.337 0.295 190 H GLU 23 H GLU 23 9.172 -18.435 2.582 191 HA GLU 23 HA GLU 23 6.978 -17.557 3.875 192 1HB GLU 23 2HB GLU 23 8.257 -17.701 5.997 193 2HB GLU 23 1HB GLU 23 8.528 -19.071 4.934 194 1HG GLU 23 1HG GLU 23 10.618 -18.507 5.854 195 2HG GLU 23 2HG GLU 23 10.639 -17.955 4.181 196 H THR 24 H THR 24 9.707 -15.649 2.962 197 HA THR 24 HA THR 24 9.505 -13.441 4.627 198 HB THR 24 HB THR 24 11.325 -13.593 3.050 199 HG1 THR 24 1HG THR 24 11.379 -11.480 2.703 200 1HG2 THR 24 1HG2 THR 24 10.904 -13.178 0.616 201 2HG2 THR 24 2HG2 THR 24 9.182 -13.383 0.938 202 3HG2 THR 24 3HG2 THR 24 10.297 -14.724 1.208 203 H LEU 25 H LEU 25 7.652 -14.236 1.702 204 HA LEU 25 HA LEU 25 6.173 -11.831 1.697 205 1HB LEU 25 1HB LEU 25 4.510 -13.188 0.297 206 2HB LEU 25 2HB LEU 25 6.098 -12.869 -0.358 207 HG LEU 25 HG LEU 25 6.772 -15.191 0.276 208 1HD1 LEU 25 1HD2 LEU 25 4.230 -16.400 0.395 209 2HD1 LEU 25 2HD2 LEU 25 4.266 -15.151 1.639 210 3HD1 LEU 25 3HD2 LEU 25 5.507 -16.412 1.616 211 1HD2 LEU 25 1HD1 LEU 25 6.334 -15.348 -1.900 212 2HD2 LEU 25 2HD1 LEU 25 4.871 -14.371 -1.768 213 3HD2 LEU 25 3HD1 LEU 25 4.815 -16.099 -1.414 214 H GLU 26 H GLU 26 5.524 -15.058 3.050 215 HA GLU 26 HA GLU 26 2.949 -14.528 3.962 216 1HB GLU 26 1HB GLU 26 3.780 -16.766 4.086 217 2HB GLU 26 2HB GLU 26 5.123 -16.282 5.118 218 1HG GLU 26 1HG GLU 26 3.543 -15.754 6.912 219 2HG GLU 26 2HG GLU 26 2.208 -16.249 5.874 220 H GLU 27 H GLU 27 6.038 -13.413 4.982 221 HA GLU 27 HA GLU 27 5.128 -12.393 7.536 222 1HB GLU 27 2HB GLU 27 7.700 -11.842 6.047 223 2HB GLU 27 1HB GLU 27 7.372 -11.458 7.730 224 1HG GLU 27 2HG GLU 27 7.488 -14.223 6.554 225 2HG GLU 27 1HG GLU 27 8.766 -13.444 7.488 226 H MET 28 H MET 28 6.263 -10.968 4.473 227 HA MET 28 HA MET 28 5.310 -8.353 5.272 228 1HB MET 28 2HB MET 28 6.630 -9.217 2.699 229 2HB MET 28 1HB MET 28 6.350 -7.561 3.214 230 1HG MET 28 2HG MET 28 7.846 -7.886 5.108 231 2HG MET 28 1HG MET 28 8.119 -9.554 4.607 232 1HE MET 28 1HE MET 28 10.490 -9.096 4.903 233 2HE MET 28 2HE MET 28 10.749 -7.351 4.908 234 3HE MET 28 3HE MET 28 11.544 -8.355 3.696 235 H LEU 29 H LEU 29 4.652 -10.690 2.698 236 HA LEU 29 HA LEU 29 2.746 -9.298 1.238 237 1HB LEU 29 1HB LEU 29 3.805 -11.542 0.729 238 2HB LEU 29 2HB LEU 29 2.653 -12.257 1.834 239 HG LEU 29 HG LEU 29 0.824 -11.739 0.397 240 1HD1 LEU 29 1HD2 LEU 29 2.590 -10.492 -1.650 241 2HD1 LEU 29 2HD2 LEU 29 1.974 -9.509 -0.324 242 3HD1 LEU 29 3HD2 LEU 29 0.851 -10.325 -1.411 243 1HD2 LEU 29 1HD1 LEU 29 3.233 -12.990 -0.828 244 2HD2 LEU 29 2HD1 LEU 29 1.804 -12.736 -1.832 245 3HD2 LEU 29 3HD1 LEU 29 1.694 -13.718 -0.370 246 H GLU 30 H GLU 30 2.326 -11.244 4.156 247 HA GLU 30 HA GLU 30 -0.485 -11.070 4.283 248 1HB GLU 30 2HB GLU 30 0.548 -12.745 5.600 249 2HB GLU 30 1HB GLU 30 1.619 -11.587 6.376 250 1HG GLU 30 1HG GLU 30 -0.135 -12.363 7.880 251 2HG GLU 30 2HG GLU 30 -0.235 -10.628 7.591 252 H LYS 31 H LYS 31 2.051 -8.879 5.305 253 HA LYS 31 HA LYS 31 0.207 -7.229 6.826 254 1HB LYS 31 1HB LYS 31 3.003 -6.440 6.058 255 2HB LYS 31 2HB LYS 31 2.071 -5.953 7.470 256 1HG LYS 31 1HG LYS 31 3.287 -8.644 6.926 257 2HG LYS 31 2HG LYS 31 3.760 -7.487 8.171 258 1HD LYS 31 2HD LYS 31 1.694 -7.816 9.348 259 2HD LYS 31 1HD LYS 31 1.049 -8.800 8.031 260 1HE LYS 31 2HE LYS 31 1.789 -10.196 9.887 261 2HE LYS 31 1HE LYS 31 2.752 -10.493 8.439 262 1HZ LYS 31 1HZ LYS 31 4.565 -10.017 9.592 263 2HZ LYS 31 2HZ LYS 31 3.642 -9.747 10.982 264 3HZ LYS 31 3HZ LYS 31 3.985 -8.465 9.933 265 H LEU 32 H LEU 32 1.828 -7.238 3.755 266 HA LEU 32 HA LEU 32 1.117 -4.627 2.919 267 1HB LEU 32 2HB LEU 32 2.916 -5.921 1.895 268 2HB LEU 32 1HB LEU 32 1.756 -7.112 1.339 269 HG LEU 32 HG LEU 32 0.752 -5.471 -0.162 270 1HD1 LEU 32 1HD2 LEU 32 0.914 -3.288 0.172 271 2HD1 LEU 32 2HD2 LEU 32 2.672 -3.357 0.049 272 3HD1 LEU 32 3HD2 LEU 32 1.885 -3.612 1.607 273 1HD2 LEU 32 1HD1 LEU 32 3.319 -4.802 -1.086 274 2HD2 LEU 32 2HD1 LEU 32 2.295 -6.143 -1.602 275 3HD2 LEU 32 3HD1 LEU 32 3.462 -6.373 -0.299 276 H GLU 33 H GLU 33 -0.490 -7.602 3.231 277 HA GLU 33 HA GLU 33 -2.660 -6.947 1.421 278 1HB GLU 33 1HB GLU 33 -2.193 -9.200 1.367 279 2HB GLU 33 2HB GLU 33 -1.881 -9.300 3.095 280 1HG GLU 33 2HG GLU 33 -4.620 -8.907 1.923 281 2HG GLU 33 1HG GLU 33 -3.916 -10.485 2.287 282 H VAL 34 H VAL 34 -2.112 -7.251 4.921 283 HA VAL 34 HA VAL 34 -4.780 -6.578 5.636 284 HB VAL 34 HB VAL 34 -3.961 -6.230 7.899 285 1HG1 VAL 34 1HG1 VAL 34 -4.391 -8.484 7.415 286 2HG1 VAL 34 2HG1 VAL 34 -2.811 -8.479 8.200 287 3HG1 VAL 34 3HG1 VAL 34 -2.925 -8.644 6.447 288 1HG2 VAL 34 1HG2 VAL 34 -1.199 -6.986 7.472 289 2HG2 VAL 34 2HG2 VAL 34 -1.873 -5.658 8.416 290 3HG2 VAL 34 3HG2 VAL 34 -1.595 -5.458 6.685 291 H VAL 35 H VAL 35 -1.849 -4.732 5.032 292 HA VAL 35 HA VAL 35 -2.633 -2.267 6.080 293 HB VAL 35 HB VAL 35 -0.349 -2.598 5.261 294 1HG1 VAL 35 1HG1 VAL 35 0.140 -3.436 3.269 295 2HG1 VAL 35 2HG1 VAL 35 -0.777 -2.171 2.454 296 3HG1 VAL 35 3HG1 VAL 35 -1.587 -3.643 2.989 297 1HG2 VAL 35 1HG2 VAL 35 -0.756 -0.517 3.416 298 2HG2 VAL 35 2HG2 VAL 35 -0.284 -0.390 5.112 299 3HG2 VAL 35 3HG2 VAL 35 -1.990 -0.341 4.664 300 H VAL 36 H VAL 36 -3.097 -3.622 2.817 301 HA VAL 36 HA VAL 36 -4.845 -1.437 2.112 302 HB VAL 36 HB VAL 36 -3.413 -2.571 0.404 303 1HG1 VAL 36 1HG1 VAL 36 -4.746 -4.625 -0.598 304 2HG1 VAL 36 2HG1 VAL 36 -5.164 -4.839 1.103 305 3HG1 VAL 36 3HG1 VAL 36 -3.473 -4.824 0.606 306 1HG2 VAL 36 1HG2 VAL 36 -5.514 -2.779 -1.211 307 2HG2 VAL 36 2HG2 VAL 36 -4.909 -1.229 -0.623 308 3HG2 VAL 36 3HG2 VAL 36 -6.291 -1.989 0.164 309 H ASN 37 H ASN 37 -5.147 -4.489 3.634 310 HA ASN 37 HA ASN 37 -7.743 -5.234 2.913 311 1HB ASN 37 2HB ASN 37 -6.226 -6.575 4.364 312 2HB ASN 37 1HB ASN 37 -6.471 -5.414 5.660 313 1HD2 ASN 37 1HD2 ASN 37 -7.739 -6.179 7.146 314 2HD2 ASN 37 2HD2 ASN 37 -9.159 -7.145 6.891 315 H GLU 38 H GLU 38 -6.537 -2.945 5.260 316 HA GLU 38 HA GLU 38 -9.122 -2.150 6.216 317 1HB GLU 38 1HB GLU 38 -6.445 -0.760 6.439 318 2HB GLU 38 2HB GLU 38 -7.899 -0.313 7.322 319 1HG GLU 38 1HG GLU 38 -7.893 -2.491 8.432 320 2HG GLU 38 2HG GLU 38 -6.427 -2.927 7.555 321 H ARG 39 H ARG 39 -6.784 -0.876 3.892 322 HA ARG 39 HA ARG 39 -8.211 1.495 3.242 323 1HB ARG 39 1HB ARG 39 -6.044 -0.085 1.894 324 2HB ARG 39 2HB ARG 39 -6.798 1.274 1.082 325 1HG ARG 39 1HG ARG 39 -4.704 1.886 2.159 326 2HG ARG 39 2HG ARG 39 -6.080 2.772 2.814 327 1HD ARG 39 2HD ARG 39 -5.049 0.267 4.084 328 2HD ARG 39 1HD ARG 39 -4.358 1.845 4.462 329 HE ARG 39 HE ARG 39 -6.688 0.771 5.561 330 1HH1 ARG 39 1HH1 ARG 39 -5.621 3.741 4.093 331 2HH1 ARG 39 2HH1 ARG 39 -6.726 4.732 4.988 332 1HH2 ARG 39 1HH2 ARG 39 -8.149 2.065 6.741 333 2HH2 ARG 39 2HH2 ARG 39 -8.160 3.779 6.493 334 H ARG 40 H ARG 40 -7.959 -1.633 1.691 335 HA ARG 40 HA ARG 40 -9.467 -1.299 -0.562 336 1HB ARG 40 2HB ARG 40 -8.729 -3.573 1.151 337 2HB ARG 40 1HB ARG 40 -10.207 -3.832 0.233 338 1HG ARG 40 1HG ARG 40 -7.485 -3.157 -0.876 339 2HG ARG 40 2HG ARG 40 -8.311 -4.717 -0.971 340 1HD ARG 40 2HD ARG 40 -9.206 -2.124 -2.238 341 2HD ARG 40 1HD ARG 40 -8.519 -3.516 -3.073 342 HE ARG 40 HE ARG 40 -10.757 -4.406 -1.684 343 1HH1 ARG 40 1HH1 ARG 40 -10.012 -2.215 -4.290 344 2HH1 ARG 40 2HH1 ARG 40 -11.534 -2.439 -5.084 345 1HH2 ARG 40 1HH2 ARG 40 -12.764 -4.705 -2.723 346 2HH2 ARG 40 2HH2 ARG 40 -13.098 -3.854 -4.194 347 H GLU 41 H GLU 41 -10.612 -2.055 2.710 348 HA GLU 41 HA GLU 41 -13.381 -2.003 1.867 349 1HB GLU 41 2HB GLU 41 -13.889 -2.460 4.223 350 2HB GLU 41 1HB GLU 41 -12.706 -3.583 3.572 351 1HG GLU 41 1HG GLU 41 -10.913 -2.332 4.654 352 2HG GLU 41 2HG GLU 41 -12.096 -1.195 5.300 353 H GLU 42 H GLU 42 -11.200 0.184 3.590 354 HA GLU 42 HA GLU 42 -13.289 1.973 4.411 355 1HB GLU 42 1HB GLU 42 -11.218 1.777 5.697 356 2HB GLU 42 2HB GLU 42 -10.293 2.365 4.322 357 1HG GLU 42 2HG GLU 42 -10.570 4.136 5.910 358 2HG GLU 42 1HG GLU 42 -11.502 4.507 4.458 359 H GLU 43 H GLU 43 -10.946 1.889 1.820 360 HA GLU 43 HA GLU 43 -11.324 4.443 0.784 361 1HB GLU 43 1HB GLU 43 -10.231 1.887 -0.227 362 2HB GLU 43 2HB GLU 43 -10.666 3.096 -1.434 363 1HG GLU 43 2HG GLU 43 -8.867 3.626 0.918 364 2HG GLU 43 1HG GLU 43 -8.291 3.179 -0.684 365 H SER 44 H SER 44 -12.914 1.372 -0.046 366 HA SER 44 HA SER 44 -14.587 2.361 -2.065 367 1HB SER 44 1HB SER 44 -14.348 -0.053 -1.602 368 2HB SER 44 2HB SER 44 -15.160 0.161 -0.052 369 HG SER 44 HG SER 44 -16.476 1.058 -2.340 370 H ALA 45 H ALA 45 -14.731 2.409 1.399 371 HA ALA 45 HA ALA 45 -17.377 3.381 1.710 372 1HB ALA 45 1HB ALA 45 -15.001 2.964 3.403 373 2HB ALA 45 2HB ALA 45 -16.697 2.578 3.709 374 3HB ALA 45 3HB ALA 45 -16.111 4.224 3.947 375 H ALA 46 H ALA 46 -14.200 4.916 1.459 376 HA ALA 46 HA ALA 46 -14.979 7.558 1.987 377 1HB ALA 46 1HB ALA 46 -12.878 8.184 0.832 378 2HB ALA 46 2HB ALA 46 -12.701 6.511 0.302 379 3HB ALA 46 3HB ALA 46 -12.650 6.901 2.021 380 H ALA 47 H ALA 47 -14.862 5.688 -1.001 381 HA ALA 47 HA ALA 47 -15.517 7.859 -2.724 382 1HB ALA 47 1HB ALA 47 -15.934 6.098 -4.406 383 2HB ALA 47 2HB ALA 47 -15.728 4.881 -3.144 384 3HB ALA 47 3HB ALA 47 -14.378 5.923 -3.596 385 H ALA 48 H ALA 48 -17.413 5.317 -1.164 386 HA ALA 48 HA ALA 48 -19.869 5.940 -2.419 387 1HB ALA 48 1HB ALA 48 -19.997 3.857 -1.542 388 2HB ALA 48 2HB ALA 48 -20.703 4.740 -0.188 389 3HB ALA 48 3HB ALA 48 -19.006 4.265 -0.141 390 H GLU 49 H GLU 49 -18.439 6.962 0.660 391 HA GLU 49 HA GLU 49 -20.712 8.355 1.591 392 1HB GLU 49 1HB GLU 49 -19.201 9.383 3.217 393 2HB GLU 49 2HB GLU 49 -18.933 7.651 3.098 394 1HG GLU 49 2HG GLU 49 -16.977 8.047 1.693 395 2HG GLU 49 1HG GLU 49 -17.248 9.784 1.809 396 H VAL 50 H VAL 50 -17.826 9.472 -0.170 397 HA VAL 50 HA VAL 50 -18.490 12.206 -0.118 398 HB VAL 50 HB VAL 50 -16.239 11.459 -0.672 399 1HG1 VAL 50 1HG1 VAL 50 -15.707 10.501 -2.849 400 2HG1 VAL 50 2HG1 VAL 50 -17.423 10.463 -3.260 401 3HG1 VAL 50 3HG1 VAL 50 -16.807 9.457 -1.948 402 1HG2 VAL 50 1HG2 VAL 50 -15.825 12.942 -2.597 403 2HG2 VAL 50 2HG2 VAL 50 -16.889 13.670 -1.395 404 3HG2 VAL 50 3HG2 VAL 50 -17.564 13.016 -2.887 405 H GLU 51 H GLU 51 -19.093 9.739 -2.620 406 HA GLU 51 HA GLU 51 -20.618 11.604 -4.216 407 1HB GLU 51 1HB GLU 51 -20.213 8.624 -4.527 408 2HB GLU 51 2HB GLU 51 -20.977 9.676 -5.710 409 1HG GLU 51 1HG GLU 51 -18.887 10.903 -5.976 410 2HG GLU 51 2HG GLU 51 -18.121 9.856 -4.781 411 H GLU 52 H GLU 52 -22.761 11.920 -4.148 412 HA GLU 52 HA GLU 52 -24.534 9.854 -3.143 413 1HB GLU 52 2HB GLU 52 -24.348 12.564 -1.810 414 2HB GLU 52 1HB GLU 52 -25.618 11.386 -1.515 415 1HG GLU 52 2HG GLU 52 -23.958 9.814 -0.653 416 2HG GLU 52 1HG GLU 52 -22.689 11.002 -0.946 417 H ARG 53 H ARG 53 -24.590 13.363 -3.753 418 HA ARG 53 HA ARG 53 -26.234 13.051 -6.100 419 1HB ARG 53 1HB ARG 53 -27.364 14.332 -3.602 420 2HB ARG 53 2HB ARG 53 -28.064 14.518 -5.202 421 1HG ARG 53 1HG ARG 53 -28.501 12.133 -5.314 422 2HG ARG 53 2HG ARG 53 -27.750 11.910 -3.732 423 1HD ARG 53 2HD ARG 53 -30.188 11.964 -3.564 424 2HD ARG 53 1HD ARG 53 -29.452 13.318 -2.710 425 HE ARG 53 HE ARG 53 -30.090 14.135 -5.314 426 1HH1 ARG 53 1HH1 ARG 53 -31.662 13.216 -2.342 427 2HH1 ARG 53 2HH1 ARG 53 -33.068 14.183 -2.636 428 1HH2 ARG 53 1HH2 ARG 53 -31.938 15.412 -5.707 429 2HH2 ARG 53 2HH2 ARG 53 -33.226 15.431 -4.549 430 H THR 54 H THR 54 -25.070 15.279 -3.604 431 HA THR 54 HA THR 54 -24.950 17.509 -5.423 432 HB THR 54 HB THR 54 -23.931 18.732 -3.547 433 HG1 THR 54 1HG THR 54 -24.195 17.092 -1.533 434 1HG2 THR 54 1HG2 THR 54 -25.849 18.188 -1.845 435 2HG2 THR 54 2HG2 THR 54 -26.444 17.163 -3.151 436 3HG2 THR 54 3HG2 THR 54 -26.231 18.894 -3.415 437 H ARG 55 H ARG 55 -23.231 18.274 -6.512 438 HA ARG 55 HA ARG 55 -21.003 16.615 -6.993 439 1HB ARG 55 1HB ARG 55 -21.351 19.557 -7.598 440 2HB ARG 55 2HB ARG 55 -20.121 18.511 -8.292 441 1HG ARG 55 2HG ARG 55 -23.094 18.214 -8.661 442 2HG ARG 55 1HG ARG 55 -21.964 18.879 -9.841 443 1HD ARG 55 2HD ARG 55 -20.791 16.733 -9.926 444 2HD ARG 55 1HD ARG 55 -21.922 16.067 -8.747 445 HE ARG 55 HE ARG 55 -22.328 16.233 -11.522 446 1HH1 ARG 55 1HH1 ARG 55 -24.027 16.740 -8.521 447 2HH1 ARG 55 2HH1 ARG 55 -25.586 16.413 -9.202 448 1HH2 ARG 55 1HH2 ARG 55 -24.374 15.800 -12.423 449 2HH2 ARG 55 2HH2 ARG 55 -25.783 15.878 -11.418 450 H LYS 56 H LYS 56 -21.503 19.395 -4.904 451 HA LYS 56 HA LYS 56 -20.291 20.278 -3.197 452 1HB LYS 56 1HB LYS 56 -20.253 17.885 -2.465 453 2HB LYS 56 2HB LYS 56 -18.717 17.698 -3.298 454 1HG LYS 56 1HG LYS 56 -18.335 18.012 -0.944 455 2HG LYS 56 2HG LYS 56 -17.736 19.416 -1.831 456 1HD LYS 56 1HD LYS 56 -19.795 20.632 -1.273 457 2HD LYS 56 2HD LYS 56 -20.366 19.232 -0.362 458 1HE LYS 56 2HE LYS 56 -19.412 20.901 1.129 459 2HE LYS 56 1HE LYS 56 -18.448 19.425 1.141 460 1HZ LYS 56 1HZ LYS 56 -17.369 21.009 -0.839 461 2HZ LYS 56 2HZ LYS 56 -16.705 20.692 0.684 462 3HZ LYS 56 3HZ LYS 56 -17.670 22.063 0.451 463 H LEU 57 H LEU 57 -19.601 21.180 -5.652 464 HA LEU 57 HA LEU 57 -16.891 20.946 -6.353 465 1HB LEU 57 1HB LEU 57 -17.211 22.875 -7.738 466 2HB LEU 57 2HB LEU 57 -18.641 21.868 -7.837 467 HG LEU 57 HG LEU 57 -18.454 24.321 -6.090 468 1HD1 LEU 57 1HD2 LEU 57 -18.477 24.280 -8.858 469 2HD1 LEU 57 2HD2 LEU 57 -18.917 25.635 -7.818 470 3HD1 LEU 57 3HD2 LEU 57 -20.164 24.538 -8.410 471 1HD2 LEU 57 1HD1 LEU 57 -20.162 22.901 -5.291 472 2HD2 LEU 57 2HD1 LEU 57 -20.712 22.521 -6.923 473 3HD2 LEU 57 3HD1 LEU 57 -20.967 24.134 -6.260 474 H SER 1 1HT SER 1 -13.425 -8.565 -1.774 475 HA SER 1 HA SER 1 -11.485 -8.456 0.463 476 1HB SER 1 2HB SER 1 -12.915 -10.792 -0.834 477 2HB SER 1 1HB SER 1 -11.664 -10.927 0.402 478 HG SER 1 HG SER 1 -13.744 -11.034 1.317 479 H GLU 2 H GLU 2 -10.894 -7.193 -1.917 480 HA GLU 2 HA GLU 2 -9.602 -8.943 -3.766 481 1HB GLU 2 2HB GLU 2 -9.442 -5.954 -3.382 482 2HB GLU 2 1HB GLU 2 -8.637 -6.818 -4.685 483 1HG GLU 2 1HG GLU 2 -10.801 -7.625 -5.471 484 2HG GLU 2 2HG GLU 2 -11.595 -6.720 -4.184 485 H ALA 3 H ALA 3 -8.665 -7.278 -0.887 486 HA ALA 3 HA ALA 3 -5.842 -7.396 -1.301 487 1HB ALA 3 1HB ALA 3 -7.410 -7.114 1.264 488 2HB ALA 3 2HB ALA 3 -6.839 -5.790 0.246 489 3HB ALA 3 3HB ALA 3 -5.681 -6.829 1.077 490 H LEU 4 H LEU 4 -8.241 -9.501 -0.116 491 HA LEU 4 HA LEU 4 -6.450 -11.351 1.164 492 1HB LEU 4 2HB LEU 4 -9.384 -11.513 0.491 493 2HB LEU 4 1HB LEU 4 -8.523 -12.633 1.538 494 HG LEU 4 HG LEU 4 -9.638 -11.199 3.018 495 1HD1 LEU 4 1HD1 LEU 4 -7.793 -9.646 3.890 496 2HD1 LEU 4 2HD1 LEU 4 -6.809 -10.327 2.593 497 3HD1 LEU 4 3HD1 LEU 4 -7.470 -11.381 3.844 498 1HD2 LEU 4 1HD2 LEU 4 -10.375 -9.542 1.386 499 2HD2 LEU 4 2HD2 LEU 4 -8.747 -8.866 1.319 500 3HD2 LEU 4 3HD2 LEU 4 -9.685 -8.762 2.808 501 H LYS 5 H LYS 5 -8.367 -11.196 -1.769 502 HA LYS 5 HA LYS 5 -7.496 -13.799 -2.655 503 1HB LYS 5 2HB LYS 5 -8.924 -13.441 -4.584 504 2HB LYS 5 1HB LYS 5 -9.791 -13.058 -3.103 505 1HG LYS 5 2HG LYS 5 -10.386 -11.361 -4.580 506 2HG LYS 5 1HG LYS 5 -9.141 -10.639 -3.553 507 1HD LYS 5 1HD LYS 5 -7.464 -11.034 -5.272 508 2HD LYS 5 2HD LYS 5 -8.679 -11.802 -6.298 509 1HE LYS 5 2HE LYS 5 -9.933 -9.699 -6.384 510 2HE LYS 5 1HE LYS 5 -8.707 -8.931 -5.376 511 1HZ LYS 5 1HZ LYS 5 -7.308 -8.721 -7.096 512 2HZ LYS 5 2HZ LYS 5 -8.693 -8.901 -8.050 513 3HZ LYS 5 3HZ LYS 5 -7.694 -10.232 -7.752 514 H ILE 6 H ILE 6 -6.512 -10.521 -3.079 515 HA ILE 6 HA ILE 6 -5.294 -10.592 -5.570 516 HB ILE 6 HB ILE 6 -5.505 -8.512 -4.287 517 1HG1 ILE 6 2HG1 ILE 6 -3.705 -8.672 -6.003 518 2HG1 ILE 6 1HG1 ILE 6 -3.349 -7.553 -4.699 519 1HG2 ILE 6 1HG2 ILE 6 -3.261 -9.335 -2.492 520 2HG2 ILE 6 2HG2 ILE 6 -4.935 -9.713 -2.088 521 3HG2 ILE 6 3HG2 ILE 6 -4.436 -8.033 -2.300 522 1HD1 ILE 6 1HD1 ILE 6 -2.196 -9.890 -3.840 523 2HD1 ILE 6 2HD1 ILE 6 -1.372 -8.502 -4.551 524 3HD1 ILE 6 3HD1 ILE 6 -1.865 -9.852 -5.573 525 H LEU 7 H LEU 7 -3.805 -11.086 -2.415 526 HA LEU 7 HA LEU 7 -1.576 -12.464 -3.607 527 1HB LEU 7 2HB LEU 7 -0.476 -11.851 -1.742 528 2HB LEU 7 1HB LEU 7 -1.882 -10.868 -1.378 529 HG LEU 7 HG LEU 7 -2.744 -13.057 -0.208 530 1HD1 LEU 7 1HD1 LEU 7 -0.086 -13.787 -0.961 531 2HD1 LEU 7 2HD1 LEU 7 -1.315 -14.749 -0.141 532 3HD1 LEU 7 3HD1 LEU 7 -0.208 -13.743 0.800 533 1HD2 LEU 7 1HD2 LEU 7 -1.452 -12.310 1.863 534 2HD2 LEU 7 2HD2 LEU 7 -2.485 -11.124 1.065 535 3HD2 LEU 7 3HD2 LEU 7 -0.736 -11.082 0.818 536 H ASN 8 H ASN 8 -4.666 -13.090 -2.564 537 HA ASN 8 HA ASN 8 -5.860 -15.006 -2.183 538 1HB ASN 8 2HB ASN 8 -3.412 -16.281 -3.421 539 2HB ASN 8 1HB ASN 8 -4.889 -17.164 -3.041 540 1HD2 ASN 8 2HD2 ASN 8 -3.243 -15.654 -5.431 541 2HD2 ASN 8 1HD2 ASN 8 -4.558 -15.292 -6.508 542 H ASN 9 H ASN 9 -4.222 -13.935 -0.080 543 HA ASN 9 HA ASN 9 -3.596 -14.389 2.048 544 1HB ASN 9 2HB ASN 9 -4.978 -17.024 1.508 545 2HB ASN 9 1HB ASN 9 -4.477 -16.451 3.095 546 1HD2 ASN 9 2HD2 ASN 9 -5.340 -13.742 1.531 547 2HD2 ASN 9 1HD2 ASN 9 -7.004 -13.648 1.981 548 H ILE 10 H ILE 10 -1.642 -14.801 2.818 549 HA ILE 10 HA ILE 10 0.330 -16.163 1.383 550 HB ILE 10 HB ILE 10 1.730 -16.020 3.387 551 1HG1 ILE 10 1HG1 ILE 10 -0.160 -16.438 5.016 552 2HG1 ILE 10 2HG1 ILE 10 0.947 -15.145 5.464 553 1HG2 ILE 10 1HG2 ILE 10 1.401 -13.454 3.685 554 2HG2 ILE 10 2HG2 ILE 10 0.206 -13.652 2.401 555 3HG2 ILE 10 3HG2 ILE 10 1.887 -14.114 2.121 556 1HD1 ILE 10 1HD1 ILE 10 -0.953 -14.042 5.885 557 2HD1 ILE 10 2HD1 ILE 10 -1.906 -15.043 4.788 558 3HD1 ILE 10 3HD1 ILE 10 -0.917 -13.727 4.149 559 H ARG 11 H ARG 11 -1.950 -17.325 3.745 560 HA ARG 11 HA ARG 11 -0.657 -19.682 4.530 561 1HB ARG 11 1HB ARG 11 -2.946 -20.510 5.059 562 2HB ARG 11 2HB ARG 11 -2.613 -18.912 5.708 563 1HG ARG 11 2HG ARG 11 -3.854 -17.901 3.857 564 2HG ARG 11 1HG ARG 11 -4.200 -19.510 3.219 565 1HD ARG 11 2HD ARG 11 -5.392 -20.071 5.283 566 2HD ARG 11 1HD ARG 11 -5.055 -18.459 5.913 567 HE ARG 11 HE ARG 11 -6.354 -18.189 3.451 568 1HH1 ARG 11 1HH1 ARG 11 -7.005 -19.310 6.686 569 2HH1 ARG 11 2HH1 ARG 11 -8.692 -18.929 6.616 570 1HH2 ARG 11 1HH2 ARG 11 -8.574 -17.684 3.350 571 2HH2 ARG 11 2HH2 ARG 11 -9.586 -18.004 4.720 572 H THR 12 H THR 12 -2.980 -19.125 1.895 573 HA THR 12 HA THR 12 -2.712 -21.799 0.879 574 HB THR 12 HB THR 12 -4.012 -19.361 -0.354 575 HG1 THR 12 1HG THR 12 -5.368 -21.586 0.735 576 1HG2 THR 12 1HG2 THR 12 -3.895 -22.241 -1.197 577 2HG2 THR 12 2HG2 THR 12 -3.610 -20.792 -2.161 578 3HG2 THR 12 3HG2 THR 12 -5.248 -21.207 -1.656 579 H LEU 13 H LEU 13 -1.460 -18.612 0.052 580 HA LEU 13 HA LEU 13 -0.304 -19.272 -2.411 581 1HB LEU 13 2HB LEU 13 -0.667 -16.965 -1.601 582 2HB LEU 13 1HB LEU 13 0.627 -17.190 -0.440 583 HG LEU 13 HG LEU 13 1.041 -17.405 -3.424 584 1HD1 LEU 13 1HD1 LEU 13 1.256 -15.029 -1.596 585 2HD1 LEU 13 2HD1 LEU 13 0.326 -15.181 -3.086 586 3HD1 LEU 13 3HD1 LEU 13 2.088 -15.125 -3.149 587 1HD2 LEU 13 1HD2 LEU 13 2.764 -18.513 -2.173 588 2HD2 LEU 13 2HD2 LEU 13 2.923 -17.131 -1.084 589 3HD2 LEU 13 3HD2 LEU 13 3.407 -16.981 -2.773 590 H ARG 14 H ARG 14 1.195 -19.083 0.811 591 HA ARG 14 HA ARG 14 3.767 -19.747 0.223 592 1HB ARG 14 1HB ARG 14 2.848 -19.156 2.459 593 2HB ARG 14 2HB ARG 14 2.196 -20.782 2.583 594 1HG ARG 14 2HG ARG 14 4.435 -21.710 2.515 595 2HG ARG 14 1HG ARG 14 5.111 -20.088 2.333 596 1HD ARG 14 2HD ARG 14 4.034 -19.476 4.489 597 2HD ARG 14 1HD ARG 14 3.572 -21.165 4.683 598 HE ARG 14 HE ARG 14 6.060 -20.064 5.332 599 1HH1 ARG 14 1HH1 ARG 14 4.745 -22.844 3.688 600 2HH1 ARG 14 2HH1 ARG 14 6.108 -23.853 4.038 601 1HH2 ARG 14 1HH2 ARG 14 7.855 -21.386 5.794 602 2HH2 ARG 14 2HH2 ARG 14 7.874 -23.025 5.234 603 H ALA 15 H ALA 15 0.990 -21.853 0.294 604 HA ALA 15 HA ALA 15 2.564 -24.275 0.106 605 1HB ALA 15 1HB ALA 15 -0.396 -23.998 -0.288 606 2HB ALA 15 2HB ALA 15 0.364 -24.099 1.300 607 3HB ALA 15 3HB ALA 15 0.511 -25.440 0.163 608 H GLN 16 H GLN 16 0.289 -22.532 -2.020 609 HA GLN 16 HA GLN 16 0.584 -24.256 -4.233 610 1HB GLN 16 2HB GLN 16 -0.278 -22.287 -5.561 611 2HB GLN 16 1HB GLN 16 -1.284 -22.755 -4.195 612 1HG GLN 16 2HG GLN 16 -0.299 -20.971 -2.859 613 2HG GLN 16 1HG GLN 16 0.701 -20.498 -4.229 614 1HE2 GLN 16 1HE2 GLN 16 -0.044 -18.527 -4.665 615 2HE2 GLN 16 2HE2 GLN 16 -1.690 -18.154 -5.074 616 H ALA 17 H ALA 17 2.357 -21.532 -3.093 617 HA ALA 17 HA ALA 17 4.067 -21.376 -5.420 618 1HB ALA 17 1HB ALA 17 5.268 -19.770 -3.649 619 2HB ALA 17 2HB ALA 17 3.629 -19.777 -2.983 620 3HB ALA 17 3HB ALA 17 3.904 -19.262 -4.648 621 H ARG 18 H ARG 18 3.966 -22.866 -2.318 622 HA ARG 18 HA ARG 18 6.576 -23.205 -1.585 623 1HB ARG 18 2HB ARG 18 4.646 -24.153 -0.357 624 2HB ARG 18 1HB ARG 18 4.475 -25.384 -1.599 625 1HG ARG 18 1HG ARG 18 5.603 -26.280 0.344 626 2HG ARG 18 2HG ARG 18 6.696 -26.249 -1.042 627 1HD ARG 18 1HD ARG 18 7.695 -24.179 -0.202 628 2HD ARG 18 2HD ARG 18 6.610 -24.219 1.186 629 HE ARG 18 HE ARG 18 9.050 -25.598 0.941 630 1HH1 ARG 18 1HH1 ARG 18 5.793 -26.058 2.097 631 2HH1 ARG 18 2HH1 ARG 18 6.243 -27.252 3.269 632 1HH2 ARG 18 1HH2 ARG 18 9.646 -27.168 2.480 633 2HH2 ARG 18 2HH2 ARG 18 8.431 -27.883 3.486 634 H GLU 19 H GLU 19 4.897 -24.640 -4.276 635 HA GLU 19 HA GLU 19 7.076 -26.443 -4.913 636 1HB GLU 19 2HB GLU 19 4.557 -25.784 -6.448 637 2HB GLU 19 1HB GLU 19 5.691 -27.063 -6.854 638 1HG GLU 19 2HG GLU 19 5.198 -28.177 -4.739 639 2HG GLU 19 1HG GLU 19 4.062 -26.891 -4.329 640 H SER 20 H SER 20 7.600 -23.522 -4.891 641 HA SER 20 HA SER 20 9.065 -23.415 -7.342 642 1HB SER 20 1HB SER 20 7.986 -21.420 -8.291 643 2HB SER 20 2HB SER 20 6.854 -22.767 -8.194 644 HG SER 20 HG SER 20 5.664 -21.632 -6.898 645 H THR 21 H THR 21 9.238 -20.537 -7.437 646 HA THR 21 HA THR 21 10.933 -20.119 -5.085 647 HB THR 21 HB THR 21 10.829 -18.498 -7.639 648 HG1 THR 21 1HG THR 21 12.529 -20.651 -6.857 649 1HG2 THR 21 1HG2 THR 21 11.777 -17.329 -5.678 650 2HG2 THR 21 2HG2 THR 21 12.985 -17.634 -6.926 651 3HG2 THR 21 3HG2 THR 21 12.939 -18.643 -5.480 652 H LEU 22 H LEU 22 11.008 -17.839 -4.213 653 HA LEU 22 HA LEU 22 8.494 -17.057 -3.309 654 1HB LEU 22 2HB LEU 22 9.644 -15.747 -1.917 655 2HB LEU 22 1HB LEU 22 11.078 -16.475 -2.614 656 HG LEU 22 HG LEU 22 9.838 -13.939 -3.653 657 1HD1 LEU 22 1HD1 LEU 22 11.693 -12.799 -2.467 658 2HD1 LEU 22 2HD1 LEU 22 12.045 -14.322 -1.650 659 3HD1 LEU 22 3HD1 LEU 22 10.492 -13.522 -1.395 660 1HD2 LEU 22 1HD2 LEU 22 12.693 -14.610 -4.003 661 2HD2 LEU 22 2HD2 LEU 22 11.587 -13.738 -5.065 662 3HD2 LEU 22 3HD2 LEU 22 11.519 -15.500 -4.974 663 H GLU 23 H GLU 23 9.990 -16.488 -6.290 664 HA GLU 23 HA GLU 23 9.388 -14.001 -7.128 665 1HB GLU 23 1HB GLU 23 8.963 -14.907 -9.364 666 2HB GLU 23 2HB GLU 23 10.319 -15.724 -8.601 667 1HG GLU 23 2HG GLU 23 8.879 -17.608 -8.034 668 2HG GLU 23 1HG GLU 23 7.512 -16.789 -8.788 669 H THR 24 H THR 24 7.126 -16.448 -6.199 670 HA THR 24 HA THR 24 4.770 -15.599 -7.377 671 HB THR 24 HB THR 24 4.782 -17.631 -6.095 672 HG1 THR 24 1HG THR 24 2.758 -17.213 -5.684 673 1HG2 THR 24 1HG2 THR 24 5.665 -17.857 -4.051 674 2HG2 THR 24 2HG2 THR 24 4.788 -16.459 -3.428 675 3HG2 THR 24 3HG2 THR 24 6.315 -16.233 -4.280 676 H LEU 25 H LEU 25 6.411 -14.371 -4.480 677 HA LEU 25 HA LEU 25 4.379 -12.495 -3.858 678 1HB LEU 25 2HB LEU 25 6.227 -11.374 -2.491 679 2HB LEU 25 1HB LEU 25 5.688 -12.966 -2.017 680 HG LEU 25 HG LEU 25 7.718 -13.932 -3.112 681 1HD1 LEU 25 1HD2 LEU 25 7.994 -11.267 -4.103 682 2HD1 LEU 25 2HD2 LEU 25 8.965 -12.703 -4.464 683 3HD1 LEU 25 3HD2 LEU 25 9.390 -11.664 -3.100 684 1HD2 LEU 25 1HD1 LEU 25 8.297 -13.882 -0.966 685 2HD2 LEU 25 2HD1 LEU 25 7.564 -12.296 -0.720 686 3HD2 LEU 25 3HD1 LEU 25 9.207 -12.422 -1.350 687 H GLU 26 H GLU 26 7.457 -12.263 -5.632 688 HA GLU 26 HA GLU 26 7.352 -9.517 -6.108 689 1HB GLU 26 2HB GLU 26 9.346 -10.691 -6.692 690 2HB GLU 26 1HB GLU 26 8.476 -11.782 -7.768 691 1HG GLU 26 1HG GLU 26 8.021 -9.913 -9.282 692 2HG GLU 26 2HG GLU 26 8.906 -8.835 -8.204 693 H GLU 27 H GLU 27 5.515 -12.157 -7.288 694 HA GLU 27 HA GLU 27 4.364 -10.728 -9.524 695 1HB GLU 27 1HB GLU 27 4.598 -13.064 -9.850 696 2HB GLU 27 2HB GLU 27 3.876 -13.431 -8.290 697 1HG GLU 27 2HG GLU 27 1.714 -12.708 -9.071 698 2HG GLU 27 1HG GLU 27 2.408 -12.209 -10.615 699 H MET 28 H MET 28 3.139 -12.052 -6.443 700 HA MET 28 HA MET 28 0.698 -10.514 -6.699 701 1HB MET 28 1HB MET 28 1.595 -12.418 -4.536 702 2HB MET 28 2HB MET 28 -0.002 -11.698 -4.657 703 1HG MET 28 1HG MET 28 1.246 -13.570 -6.655 704 2HG MET 28 2HG MET 28 0.012 -13.989 -5.468 705 1HE MET 28 1HE MET 28 -0.603 -14.328 -9.003 706 2HE MET 28 2HE MET 28 -2.239 -14.365 -8.344 707 3HE MET 28 3HE MET 28 -0.909 -15.097 -7.445 708 H LEU 29 H LEU 29 3.426 -10.733 -4.454 709 HA LEU 29 HA LEU 29 2.626 -8.832 -2.574 710 1HB LEU 29 1HB LEU 29 4.550 -10.390 -2.362 711 2HB LEU 29 2HB LEU 29 5.432 -9.422 -3.521 712 HG LEU 29 HG LEU 29 5.405 -7.528 -1.929 713 1HD1 LEU 29 1HD1 LEU 29 4.141 -9.544 -0.079 714 2HD1 LEU 29 2HD1 LEU 29 3.409 -8.051 -0.663 715 3HD1 LEU 29 3HD1 LEU 29 4.804 -7.988 0.417 716 1HD2 LEU 29 1HD2 LEU 29 7.312 -9.018 -2.019 717 2HD2 LEU 29 2HD2 LEU 29 6.522 -10.135 -0.904 718 3HD2 LEU 29 3HD2 LEU 29 7.009 -8.532 -0.350 719 H GLU 30 H GLU 30 4.273 -8.415 -5.667 720 HA GLU 30 HA GLU 30 4.825 -5.655 -5.404 721 1HB GLU 30 2HB GLU 30 5.958 -7.000 -7.077 722 2HB GLU 30 1HB GLU 30 4.432 -7.345 -7.878 723 1HG GLU 30 1HG GLU 30 4.191 -4.987 -8.448 724 2HG GLU 30 2HG GLU 30 5.715 -4.633 -7.635 725 H LYS 31 H LYS 31 1.972 -7.430 -6.324 726 HA LYS 31 HA LYS 31 0.638 -5.052 -7.342 727 1HB LYS 31 2HB LYS 31 -0.685 -7.701 -6.832 728 2HB LYS 31 1HB LYS 31 -1.106 -6.470 -8.019 729 1HG LYS 31 1HG LYS 31 1.305 -8.257 -8.052 730 2HG LYS 31 2HG LYS 31 -0.094 -8.352 -9.124 731 1HD LYS 31 1HD LYS 31 0.463 -6.223 -10.110 732 2HD LYS 31 2HD LYS 31 1.768 -5.984 -8.943 733 1HE LYS 31 2HE LYS 31 2.642 -6.707 -11.102 734 2HE LYS 31 1HE LYS 31 2.951 -7.911 -9.850 735 1HZ LYS 31 1HZ LYS 31 1.878 -9.411 -11.049 736 2HZ LYS 31 2HZ LYS 31 1.651 -8.276 -12.283 737 3HZ LYS 31 3HZ LYS 31 0.478 -8.460 -11.078 738 H LEU 32 H LEU 32 0.777 -7.048 -4.533 739 HA LEU 32 HA LEU 32 -1.511 -6.054 -3.199 740 1HB LEU 32 2HB LEU 32 -0.402 -8.165 -2.639 741 2HB LEU 32 1HB LEU 32 1.002 -7.273 -2.084 742 HG LEU 32 HG LEU 32 -0.346 -6.254 -0.298 743 1HD1 LEU 32 1HD2 LEU 32 -2.581 -6.304 -0.211 744 2HD1 LEU 32 2HD2 LEU 32 -2.659 -8.007 -0.664 745 3HD1 LEU 32 3HD2 LEU 32 -2.490 -6.770 -1.910 746 1HD2 LEU 32 1HD1 LEU 32 -0.800 -9.226 -0.336 747 2HD2 LEU 32 2HD1 LEU 32 -0.595 -8.178 1.066 748 3HD2 LEU 32 3HD1 LEU 32 0.763 -8.479 -0.014 749 H GLU 33 H GLU 33 1.686 -4.870 -3.736 750 HA GLU 33 HA GLU 33 1.505 -2.925 -1.576 751 1HB GLU 33 2HB GLU 33 3.686 -2.118 -2.348 752 2HB GLU 33 1HB GLU 33 3.702 -3.853 -2.074 753 1HG GLU 33 2HG GLU 33 3.691 -4.313 -4.394 754 2HG GLU 33 1HG GLU 33 3.309 -2.642 -4.795 755 H VAL 34 H VAL 34 1.319 -3.026 -5.109 756 HA VAL 34 HA VAL 34 1.003 -0.222 -5.429 757 HB VAL 34 HB VAL 34 0.266 -0.668 -7.690 758 1HG1 VAL 34 1HG1 VAL 34 2.722 -1.155 -6.743 759 2HG1 VAL 34 2HG1 VAL 34 2.298 -1.292 -8.449 760 3HG1 VAL 34 3HG1 VAL 34 2.358 -2.735 -7.437 761 1HG2 VAL 34 1HG2 VAL 34 -0.662 -2.571 -8.421 762 2HG2 VAL 34 2HG2 VAL 34 -0.897 -2.925 -6.710 763 3HG2 VAL 34 3HG2 VAL 34 0.500 -3.583 -7.562 764 H VAL 35 H VAL 35 -1.211 -2.898 -4.866 765 HA VAL 35 HA VAL 35 -3.625 -1.599 -5.431 766 HB VAL 35 HB VAL 35 -3.597 -4.002 -4.963 767 1HG1 VAL 35 1HG1 VAL 35 -3.436 -4.778 -2.592 768 2HG1 VAL 35 2HG1 VAL 35 -2.839 -3.171 -2.177 769 3HG1 VAL 35 3HG1 VAL 35 -1.925 -4.191 -3.285 770 1HG2 VAL 35 1HG2 VAL 35 -5.396 -2.130 -3.693 771 2HG2 VAL 35 2HG2 VAL 35 -5.323 -3.666 -2.824 772 3HG2 VAL 35 3HG2 VAL 35 -5.749 -3.639 -4.536 773 H VAL 36 H VAL 36 -1.773 -1.825 -2.401 774 HA VAL 36 HA VAL 36 -3.499 0.121 -1.149 775 HB VAL 36 HB VAL 36 -2.477 -1.678 0.208 776 1HG1 VAL 36 1HG1 VAL 36 0.000 -0.462 -0.768 777 2HG1 VAL 36 2HG1 VAL 36 -0.333 -2.120 -0.268 778 3HG1 VAL 36 3HG1 VAL 36 -0.022 -0.879 0.946 779 1HG2 VAL 36 1HG2 VAL 36 -1.450 0.232 1.864 780 2HG2 VAL 36 2HG2 VAL 36 -3.151 -0.205 1.722 781 3HG2 VAL 36 3HG2 VAL 36 -2.518 1.159 0.802 782 H ASN 37 H ASN 37 -0.696 0.151 -3.099 783 HA ASN 37 HA ASN 37 0.595 2.471 -2.198 784 1HB ASN 37 2HB ASN 37 1.486 0.981 -3.967 785 2HB ASN 37 1HB ASN 37 0.217 1.531 -5.052 786 1HD2 ASN 37 1HD2 ASN 37 0.965 2.842 -6.510 787 2HD2 ASN 37 2HD2 ASN 37 2.166 4.074 -6.269 788 H GLU 38 H GLU 38 -2.111 1.972 -4.354 789 HA GLU 38 HA GLU 38 -2.550 4.728 -4.948 790 1HB GLU 38 2HB GLU 38 -4.450 2.381 -5.133 791 2HB GLU 38 1HB GLU 38 -4.718 3.966 -5.844 792 1HG GLU 38 2HG GLU 38 -2.456 2.114 -6.556 793 2HG GLU 38 1HG GLU 38 -3.952 2.291 -7.472 794 H ARG 39 H ARG 39 -3.921 2.427 -2.641 795 HA ARG 39 HA ARG 39 -5.833 4.206 -1.510 796 1HB ARG 39 1HB ARG 39 -4.576 1.630 -0.617 797 2HB ARG 39 2HB ARG 39 -5.618 2.535 0.466 798 1HG ARG 39 2HG ARG 39 -6.846 0.779 -0.634 799 2HG ARG 39 1HG ARG 39 -7.445 2.357 -1.137 800 1HD ARG 39 1HD ARG 39 -5.402 0.868 -2.729 801 2HD ARG 39 2HD ARG 39 -7.128 0.580 -2.941 802 HE ARG 39 HE ARG 39 -5.680 2.660 -4.087 803 1HH1 ARG 39 1HH1 ARG 39 -8.607 2.266 -2.235 804 2HH1 ARG 39 2HH1 ARG 39 -9.395 3.632 -2.952 805 1HH2 ARG 39 1HH2 ARG 39 -6.712 4.457 -5.033 806 2HH2 ARG 39 2HH2 ARG 39 -8.321 4.874 -4.542 807 H ARG 40 H ARG 40 -2.672 3.117 -0.450 808 HA ARG 40 HA ARG 40 -2.334 4.423 1.911 809 1HB ARG 40 1HB ARG 40 -0.543 3.475 -0.226 810 2HB ARG 40 2HB ARG 40 0.152 4.738 0.782 811 1HG ARG 40 1HG ARG 40 -0.951 2.095 1.727 812 2HG ARG 40 2HG ARG 40 0.759 2.532 1.595 813 1HD ARG 40 2HD ARG 40 -1.288 3.831 3.401 814 2HD ARG 40 1HD ARG 40 -0.016 2.717 3.899 815 HE ARG 40 HE ARG 40 1.196 4.852 2.582 816 1HH1 ARG 40 1HH1 ARG 40 -0.641 4.269 5.485 817 2HH1 ARG 40 2HH1 ARG 40 0.106 5.557 6.370 818 1HH2 ARG 40 1HH2 ARG 40 2.184 6.550 3.739 819 2HH2 ARG 40 2HH2 ARG 40 1.712 6.853 5.378 820 H GLU 41 H GLU 41 -1.893 5.744 -1.341 821 HA GLU 41 HA GLU 41 -1.153 8.347 -0.407 822 1HB GLU 41 1HB GLU 41 -0.380 7.272 -2.540 823 2HB GLU 41 2HB GLU 41 -1.999 7.524 -3.180 824 1HG GLU 41 2HG GLU 41 -1.752 9.922 -2.889 825 2HG GLU 41 1HG GLU 41 -0.148 9.665 -2.207 826 H GLU 42 H GLU 42 -4.116 6.927 -1.791 827 HA GLU 42 HA GLU 42 -5.501 9.441 -1.874 828 1HB GLU 42 1HB GLU 42 -6.018 7.660 -3.469 829 2HB GLU 42 2HB GLU 42 -6.537 6.616 -2.154 830 1HG GLU 42 2HG GLU 42 -8.462 7.529 -3.251 831 2HG GLU 42 1HG GLU 42 -8.338 8.214 -1.632 832 H GLU 43 H GLU 43 -5.550 6.636 0.213 833 HA GLU 43 HA GLU 43 -7.687 7.239 1.843 834 1HB GLU 43 1HB GLU 43 -5.204 5.645 2.150 835 2HB GLU 43 2HB GLU 43 -6.135 5.994 3.604 836 1HG GLU 43 2HG GLU 43 -7.321 4.762 1.133 837 2HG GLU 43 1HG GLU 43 -6.659 3.821 2.465 838 H SER 44 H SER 44 -4.268 8.138 2.247 839 HA SER 44 HA SER 44 -4.557 9.573 4.639 840 1HB SER 44 2HB SER 44 -2.352 8.991 3.697 841 2HB SER 44 1HB SER 44 -2.636 10.091 2.346 842 HG SER 44 HG SER 44 -2.936 11.212 4.847 843 H ALA 45 H ALA 45 -5.108 10.358 1.300 844 HA ALA 45 HA ALA 45 -5.543 13.141 1.573 845 1HB ALA 45 1HB ALA 45 -5.927 11.074 -0.495 846 2HB ALA 45 2HB ALA 45 -5.238 12.697 -0.623 847 3HB ALA 45 3HB ALA 45 -6.989 12.480 -0.615 848 H ALA 46 H ALA 46 -7.643 10.301 1.686 849 HA ALA 46 HA ALA 46 -10.114 11.631 1.808 850 1HB ALA 46 1HB ALA 46 -10.976 9.510 2.730 851 2HB ALA 46 2HB ALA 46 -9.319 8.935 2.913 852 3HB ALA 46 3HB ALA 46 -9.966 9.261 1.306 853 H ALA 47 H ALA 47 -7.848 10.600 4.309 854 HA ALA 47 HA ALA 47 -9.483 11.314 6.516 855 1HB ALA 47 1HB ALA 47 -7.498 11.017 7.862 856 2HB ALA 47 2HB ALA 47 -6.478 11.072 6.425 857 3HB ALA 47 3HB ALA 47 -7.597 9.728 6.662 858 H ALA 48 H ALA 48 -6.954 13.009 4.722 859 HA ALA 48 HA ALA 48 -6.817 15.269 6.410 860 1HB ALA 48 1HB ALA 48 -5.034 15.559 5.122 861 2HB ALA 48 2HB ALA 48 -6.109 16.102 3.834 862 3HB ALA 48 3HB ALA 48 -5.640 14.405 3.935 863 H GLU 49 H GLU 49 -8.682 14.622 3.457 864 HA GLU 49 HA GLU 49 -9.777 17.221 3.254 865 1HB GLU 49 2HB GLU 49 -11.359 16.238 1.663 866 2HB GLU 49 1HB GLU 49 -9.709 15.728 1.338 867 1HG GLU 49 1HG GLU 49 -10.148 13.584 2.401 868 2HG GLU 49 2HG GLU 49 -11.795 14.096 2.767 869 H VAL 50 H VAL 50 -11.051 14.228 4.708 870 HA VAL 50 HA VAL 50 -13.585 15.249 5.355 871 HB VAL 50 HB VAL 50 -13.725 13.442 7.039 872 1HG1 VAL 50 1HG2 VAL 50 -14.424 12.779 4.926 873 2HG1 VAL 50 2HG2 VAL 50 -13.227 11.556 5.354 874 3HG1 VAL 50 3HG2 VAL 50 -12.796 12.864 4.252 875 1HG2 VAL 50 1HG1 VAL 50 -11.861 11.829 7.198 876 2HG2 VAL 50 2HG1 VAL 50 -11.457 13.415 7.851 877 3HG2 VAL 50 3HG1 VAL 50 -10.857 12.938 6.264 878 H GLU 51 H GLU 51 -10.567 15.216 7.229 879 HA GLU 51 HA GLU 51 -11.647 16.290 9.596 880 1HB GLU 51 2HB GLU 51 -8.841 16.456 8.485 881 2HB GLU 51 1HB GLU 51 -9.291 16.940 10.115 882 1HG GLU 51 2HG GLU 51 -10.008 14.655 10.596 883 2HG GLU 51 1HG GLU 51 -9.556 14.172 8.963 884 H GLU 52 H GLU 52 -12.326 18.247 10.097 885 HA GLU 52 HA GLU 52 -11.237 20.624 8.863 886 1HB GLU 52 1HB GLU 52 -14.136 19.851 8.471 887 2HB GLU 52 2HB GLU 52 -13.502 21.464 8.181 888 1HG GLU 52 2HG GLU 52 -12.596 18.975 6.753 889 2HG GLU 52 1HG GLU 52 -13.767 20.133 6.128 890 H ARG 53 H ARG 53 -11.806 22.547 9.987 891 HA ARG 53 HA ARG 53 -12.329 22.119 12.772 892 1HB ARG 53 1HB ARG 53 -12.020 24.558 12.973 893 2HB ARG 53 2HB ARG 53 -10.708 23.792 12.087 894 1HG ARG 53 1HG ARG 53 -11.700 24.529 9.979 895 2HG ARG 53 2HG ARG 53 -13.012 25.304 10.871 896 1HD ARG 53 1HD ARG 53 -11.372 26.743 12.001 897 2HD ARG 53 2HD ARG 53 -10.080 25.986 11.070 898 HE ARG 53 HE ARG 53 -10.583 27.426 9.390 899 1HH1 ARG 53 1HH1 ARG 53 -13.463 26.959 11.299 900 2HH1 ARG 53 2HH1 ARG 53 -14.417 28.058 10.361 901 1HH2 ARG 53 1HH2 ARG 53 -11.833 28.875 8.153 902 2HH2 ARG 53 2HH2 ARG 53 -13.490 29.146 8.573 903 H THR 54 H THR 54 -14.537 21.250 11.398 904 HA THR 54 HA THR 54 -16.597 23.005 12.464 905 HB THR 54 HB THR 54 -17.966 22.860 10.400 906 HG1 THR 54 1HG THR 54 -16.936 22.193 8.475 907 1HG2 THR 54 1HG2 THR 54 -16.509 24.436 9.010 908 2HG2 THR 54 2HG2 THR 54 -15.298 24.240 10.277 909 3HG2 THR 54 3HG2 THR 54 -16.877 24.927 10.664 910 H ARG 55 H ARG 55 -15.736 19.978 10.877 911 HA ARG 55 HA ARG 55 -16.438 17.839 11.153 912 1HB ARG 55 1HB ARG 55 -17.590 18.994 13.691 913 2HB ARG 55 2HB ARG 55 -17.688 17.288 13.286 914 1HG ARG 55 2HG ARG 55 -15.858 17.611 14.782 915 2HG ARG 55 1HG ARG 55 -15.210 17.221 13.188 916 1HD ARG 55 2HD ARG 55 -13.930 19.013 14.202 917 2HD ARG 55 1HD ARG 55 -14.795 19.603 12.783 918 HE ARG 55 HE ARG 55 -15.812 21.104 14.150 919 1HH1 ARG 55 1HH1 ARG 55 -14.898 18.345 16.077 920 2HH1 ARG 55 2HH1 ARG 55 -15.490 19.022 17.557 921 1HH2 ARG 55 1HH2 ARG 55 -16.590 22.001 16.096 922 2HH2 ARG 55 2HH2 ARG 55 -16.450 21.099 17.567 923 H LYS 56 H LYS 56 -17.964 16.761 10.101 924 HA LYS 56 HA LYS 56 -20.287 18.066 9.146 925 1HB LYS 56 2HB LYS 56 -19.558 15.132 9.109 926 2HB LYS 56 1HB LYS 56 -20.866 15.859 8.186 927 1HG LYS 56 2HG LYS 56 -17.945 16.525 7.893 928 2HG LYS 56 1HG LYS 56 -18.872 15.473 6.824 929 1HD LYS 56 1HD LYS 56 -19.553 18.366 7.333 930 2HD LYS 56 2HD LYS 56 -18.552 17.816 5.988 931 1HE LYS 56 2HE LYS 56 -20.799 18.120 5.204 932 2HE LYS 56 1HE LYS 56 -20.435 16.396 5.229 933 1HZ LYS 56 1HZ LYS 56 -21.695 17.521 7.608 934 2HZ LYS 56 2HZ LYS 56 -21.916 16.012 6.877 935 3HZ LYS 56 3HZ LYS 56 -22.659 17.382 6.223 936 H LEU 57 H LEU 57 -22.382 17.987 9.785 937 HA LEU 57 HA LEU 57 -23.453 16.063 11.564 938 1HB LEU 57 2HB LEU 57 -22.085 17.251 13.201 939 2HB LEU 57 1HB LEU 57 -22.821 18.773 12.737 940 HG LEU 57 HG LEU 57 -24.992 17.980 13.584 941 1HD1 LEU 57 1HD2 LEU 57 -23.425 15.534 14.388 942 2HD1 LEU 57 2HD2 LEU 57 -24.764 15.609 13.242 943 3HD1 LEU 57 3HD2 LEU 57 -25.050 15.920 14.955 944 1HD2 LEU 57 1HD1 LEU 57 -23.346 19.200 15.021 945 2HD2 LEU 57 2HD1 LEU 57 -22.839 17.637 15.661 946 3HD2 LEU 57 3HD1 LEU 57 -24.494 18.194 15.904 Start of MODEL 5 1 H SER 1 1HT SER 1 4.146 4.794 0.992 2 HA SER 1 HA SER 1 6.907 4.858 0.238 3 1HB SER 1 1HB SER 1 5.977 6.450 2.643 4 2HB SER 1 2HB SER 1 7.655 6.055 2.272 5 HG SER 1 HG SER 1 7.036 8.157 1.552 6 H GLU 2 H GLU 2 4.469 4.420 2.773 7 HA GLU 2 HA GLU 2 5.936 2.398 4.149 8 1HB GLU 2 1HB GLU 2 4.283 3.790 5.306 9 2HB GLU 2 2HB GLU 2 3.005 3.121 4.299 10 1HG GLU 2 1HG GLU 2 3.411 0.908 5.245 11 2HG GLU 2 2HG GLU 2 4.691 1.578 6.255 12 H ALA 3 H ALA 3 3.643 2.446 1.538 13 HA ALA 3 HA ALA 3 3.003 -0.356 1.630 14 1HB ALA 3 1HB ALA 3 2.591 1.742 -0.499 15 2HB ALA 3 2HB ALA 3 1.400 1.144 0.658 16 3HB ALA 3 3HB ALA 3 2.005 0.082 -0.615 17 H LEU 4 H LEU 4 5.415 1.614 0.264 18 HA LEU 4 HA LEU 4 6.391 -0.329 -1.621 19 1HB LEU 4 1HB LEU 4 7.357 2.371 -0.680 20 2HB LEU 4 2HB LEU 4 8.167 1.434 -1.920 21 HG LEU 4 HG LEU 4 6.609 1.945 -3.518 22 1HD1 LEU 4 1HD2 LEU 4 4.689 0.910 -2.475 23 2HD1 LEU 4 2HD2 LEU 4 4.246 2.507 -3.079 24 3HD1 LEU 4 3HD2 LEU 4 4.526 2.264 -1.354 25 1HD2 LEU 4 1HD1 LEU 4 5.557 4.294 -2.363 26 2HD2 LEU 4 2HD1 LEU 4 6.917 4.132 -3.478 27 3HD2 LEU 4 3HD1 LEU 4 7.191 4.075 -1.736 28 H LYS 5 H LYS 5 7.235 1.050 1.483 29 HA LYS 5 HA LYS 5 9.627 -0.522 1.795 30 1HB LYS 5 2HB LYS 5 9.516 1.775 2.644 31 2HB LYS 5 1HB LYS 5 8.215 1.310 3.733 32 1HG LYS 5 1HG LYS 5 10.474 1.463 4.774 33 2HG LYS 5 2HG LYS 5 9.660 -0.086 4.996 34 1HD LYS 5 1HD LYS 5 10.965 -1.050 3.191 35 2HD LYS 5 2HD LYS 5 11.744 0.506 2.900 36 1HE LYS 5 2HE LYS 5 13.188 -0.983 4.198 37 2HE LYS 5 1HE LYS 5 12.735 0.448 5.125 38 1HZ LYS 5 1HZ LYS 5 10.873 -1.658 5.532 39 2HZ LYS 5 2HZ LYS 5 11.805 -0.819 6.668 40 3HZ LYS 5 3HZ LYS 5 12.444 -2.179 5.890 41 H ILE 6 H ILE 6 6.281 -0.826 2.594 42 HA ILE 6 HA ILE 6 6.361 -2.404 4.880 43 HB ILE 6 HB ILE 6 4.249 -1.548 3.937 44 1HG1 ILE 6 1HG1 ILE 6 4.476 -3.702 5.347 45 2HG1 ILE 6 2HG1 ILE 6 2.923 -3.345 4.602 46 1HG2 ILE 6 1HG2 ILE 6 4.459 -3.664 1.816 47 2HG2 ILE 6 2HG2 ILE 6 4.914 -1.981 1.555 48 3HG2 ILE 6 3HG2 ILE 6 3.251 -2.389 1.972 49 1HD1 ILE 6 1HD1 ILE 6 4.994 -5.326 3.694 50 2HD1 ILE 6 2HD1 ILE 6 3.565 -4.894 2.757 51 3HD1 ILE 6 3HD1 ILE 6 3.386 -5.667 4.333 52 H LEU 7 H LEU 7 6.417 -3.262 1.503 53 HA LEU 7 HA LEU 7 7.230 -5.981 2.142 54 1HB LEU 7 1HB LEU 7 6.124 -6.612 0.287 55 2HB LEU 7 2HB LEU 7 5.405 -5.013 0.350 56 HG LEU 7 HG LEU 7 7.519 -4.374 -1.112 57 1HD1 LEU 7 1HD1 LEU 7 8.747 -6.080 -1.814 58 2HD1 LEU 7 2HD1 LEU 7 7.330 -6.745 -2.632 59 3HD1 LEU 7 3HD1 LEU 7 7.696 -7.218 -0.972 60 1HD2 LEU 7 1HD2 LEU 7 4.877 -5.513 -1.836 61 2HD2 LEU 7 2HD2 LEU 7 6.044 -5.222 -3.126 62 3HD2 LEU 7 3HD2 LEU 7 5.524 -3.891 -2.090 63 H ASN 8 H ASN 8 8.446 -2.982 1.372 64 HA ASN 8 HA ASN 8 10.529 -2.204 0.866 65 1HB ASN 8 2HB ASN 8 11.402 -5.086 1.198 66 2HB ASN 8 1HB ASN 8 12.464 -3.679 1.167 67 1HD2 ASN 8 1HD2 ASN 8 13.124 -3.046 3.067 68 2HD2 ASN 8 2HD2 ASN 8 12.257 -3.210 4.565 69 H ASN 9 H ASN 9 8.710 -3.127 -1.200 70 HA ASN 9 HA ASN 9 8.616 -3.396 -3.446 71 1HB ASN 9 2HB ASN 9 11.526 -2.586 -3.280 72 2HB ASN 9 1HB ASN 9 10.583 -2.666 -4.765 73 1HD2 ASN 9 1HD2 ASN 9 8.484 -1.654 -2.426 74 2HD2 ASN 9 2HD2 ASN 9 8.648 0.051 -2.634 75 H ILE 10 H ILE 10 8.487 -5.213 -4.581 76 HA ILE 10 HA ILE 10 9.647 -7.615 -3.800 77 HB ILE 10 HB ILE 10 8.904 -8.559 -5.919 78 1HG1 ILE 10 1HG1 ILE 10 9.504 -6.578 -7.334 79 2HG1 ILE 10 2HG1 ILE 10 7.906 -7.238 -7.662 80 1HG2 ILE 10 1HG2 ILE 10 6.457 -7.521 -5.707 81 2HG2 ILE 10 2HG2 ILE 10 7.159 -6.900 -4.213 82 3HG2 ILE 10 3HG2 ILE 10 7.139 -8.638 -4.523 83 1HD1 ILE 10 1HD1 ILE 10 6.907 -5.442 -6.324 84 2HD1 ILE 10 2HD1 ILE 10 7.844 -4.832 -7.690 85 3HD1 ILE 10 3HD1 ILE 10 8.517 -4.767 -6.061 86 H ARG 11 H ARG 11 10.904 -5.140 -5.902 87 HA ARG 11 HA ARG 11 12.798 -6.675 -7.303 88 1HB ARG 11 1HB ARG 11 13.990 -4.485 -7.607 89 2HB ARG 11 2HB ARG 11 12.299 -4.481 -8.087 90 1HG ARG 11 1HG ARG 11 11.721 -3.416 -5.939 91 2HG ARG 11 2HG ARG 11 13.438 -3.360 -5.534 92 1HD ARG 11 1HD ARG 11 13.870 -1.963 -7.479 93 2HD ARG 11 2HD ARG 11 12.169 -2.049 -7.935 94 HE ARG 11 HE ARG 11 12.341 -1.044 -5.328 95 1HH1 ARG 11 1HH1 ARG 11 13.142 -0.127 -8.592 96 2HH1 ARG 11 2HH1 ARG 11 12.963 1.570 -8.297 97 1HH2 ARG 11 1HH2 ARG 11 12.103 1.189 -4.930 98 2HH2 ARG 11 2HH2 ARG 11 12.373 2.318 -6.215 99 H THR 12 H THR 12 13.204 -4.707 -4.354 100 HA THR 12 HA THR 12 15.878 -5.573 -3.888 101 HB THR 12 HB THR 12 13.882 -4.309 -1.996 102 HG1 THR 12 1HG THR 12 15.615 -2.545 -2.500 103 1HG2 THR 12 1HG2 THR 12 15.645 -5.510 -0.784 104 2HG2 THR 12 2HG2 THR 12 15.812 -3.763 -0.599 105 3HG2 THR 12 3HG2 THR 12 16.871 -4.638 -1.705 106 H LEU 13 H LEU 13 12.713 -6.654 -2.932 107 HA LEU 13 HA LEU 13 13.421 -8.390 -0.850 108 1HB LEU 13 1HB LEU 13 11.160 -7.803 -1.033 109 2HB LEU 13 2HB LEU 13 11.088 -8.256 -2.724 110 HG LEU 13 HG LEU 13 11.089 -10.575 -2.201 111 1HD1 LEU 13 1HD2 LEU 13 11.217 -11.342 0.181 112 2HD1 LEU 13 2HD2 LEU 13 11.751 -9.713 0.602 113 3HD1 LEU 13 3HD2 LEU 13 12.724 -10.706 -0.491 114 1HD2 LEU 13 1HD1 LEU 13 8.917 -10.307 -1.871 115 2HD2 LEU 13 2HD1 LEU 13 9.166 -8.772 -1.039 116 3HD2 LEU 13 3HD1 LEU 13 9.253 -10.288 -0.140 117 H ARG 14 H ARG 14 12.680 -9.165 -4.243 118 HA ARG 14 HA ARG 14 13.117 -11.840 -4.297 119 1HB ARG 14 1HB ARG 14 12.377 -10.626 -6.253 120 2HB ARG 14 2HB ARG 14 13.907 -9.769 -6.353 121 1HG ARG 14 2HG ARG 14 13.799 -11.484 -8.043 122 2HG ARG 14 1HG ARG 14 15.045 -11.885 -6.857 123 1HD ARG 14 1HD ARG 14 13.545 -13.436 -5.763 124 2HD ARG 14 2HD ARG 14 12.246 -12.996 -6.868 125 HE ARG 14 HE ARG 14 14.242 -14.921 -7.336 126 1HH1 ARG 14 1HH1 ARG 14 12.545 -12.345 -8.957 127 2HH1 ARG 14 2HH1 ARG 14 12.738 -13.038 -10.534 128 1HH2 ARG 14 1HH2 ARG 14 14.498 -15.840 -9.407 129 2HH2 ARG 14 2HH2 ARG 14 13.847 -15.024 -10.789 130 H ALA 15 H ALA 15 15.482 -9.337 -3.966 131 HA ALA 15 HA ALA 15 17.728 -11.105 -4.458 132 1HB ALA 15 1HB ALA 15 19.093 -9.199 -4.244 133 2HB ALA 15 2HB ALA 15 17.826 -8.302 -3.408 134 3HB ALA 15 3HB ALA 15 17.654 -8.682 -5.122 135 H GLN 16 H GLN 16 16.470 -9.231 -1.698 136 HA GLN 16 HA GLN 16 18.406 -10.166 0.143 137 1HB GLN 16 1HB GLN 16 17.061 -9.188 1.855 138 2HB GLN 16 2HB GLN 16 16.909 -8.146 0.446 139 1HG GLN 16 1HG GLN 16 14.764 -9.144 -0.087 140 2HG GLN 16 2HG GLN 16 14.916 -10.240 1.282 141 1HE2 GLN 16 1HE2 GLN 16 13.287 -7.686 0.331 142 2HE2 GLN 16 2HE2 GLN 16 13.079 -6.839 1.829 143 H ALA 17 H ALA 17 15.307 -11.302 -0.878 144 HA ALA 17 HA ALA 17 15.227 -13.449 1.056 145 1HB ALA 17 1HB ALA 17 13.114 -14.048 -0.167 146 2HB ALA 17 2HB ALA 17 13.365 -12.588 -1.133 147 3HB ALA 17 3HB ALA 17 13.134 -12.463 0.611 148 H ARG 18 H ARG 18 16.368 -12.873 -2.112 149 HA ARG 18 HA ARG 18 16.089 -15.221 -3.470 150 1HB ARG 18 1HB ARG 18 17.394 -13.255 -4.275 151 2HB ARG 18 2HB ARG 18 18.709 -13.728 -3.207 152 1HG ARG 18 2HG ARG 18 19.148 -14.439 -5.481 153 2HG ARG 18 1HG ARG 18 18.938 -15.837 -4.424 154 1HD ARG 18 2HD ARG 18 16.616 -16.055 -5.195 155 2HD ARG 18 1HD ARG 18 16.854 -14.679 -6.272 156 HE ARG 18 HE ARG 18 18.815 -16.588 -6.842 157 1HH1 ARG 18 1HH1 ARG 18 15.362 -16.186 -7.065 158 2HH1 ARG 18 2HH1 ARG 18 15.198 -17.235 -8.434 159 1HH2 ARG 18 1HH2 ARG 18 18.610 -17.972 -8.644 160 2HH2 ARG 18 2HH2 ARG 18 17.045 -18.250 -9.332 161 H GLU 19 H GLU 19 17.972 -14.618 -0.619 162 HA GLU 19 HA GLU 19 19.035 -17.361 -0.659 163 1HB GLU 19 2HB GLU 19 19.747 -15.029 1.132 164 2HB GLU 19 1HB GLU 19 20.512 -16.612 1.164 165 1HG GLU 19 1HG GLU 19 20.551 -14.679 -1.143 166 2HG GLU 19 2HG GLU 19 21.874 -14.979 -0.017 167 H SER 20 H SER 20 16.295 -17.104 -0.208 168 HA SER 20 HA SER 20 15.984 -18.531 2.212 169 1HB SER 20 1HB SER 20 16.249 -16.320 3.237 170 2HB SER 20 2HB SER 20 14.949 -15.685 2.229 171 HG SER 20 HG SER 20 14.464 -16.434 4.488 172 H THR 21 H THR 21 13.567 -18.774 2.751 173 HA THR 21 HA THR 21 12.226 -19.591 0.367 174 HB THR 21 HB THR 21 10.354 -20.210 1.902 175 HG1 THR 21 1HG THR 21 11.434 -18.477 3.498 176 1HG2 THR 21 1HG2 THR 21 11.390 -22.160 2.239 177 2HG2 THR 21 2HG2 THR 21 12.557 -21.427 3.343 178 3HG2 THR 21 3HG2 THR 21 12.848 -21.396 1.605 179 H LEU 22 H LEU 22 9.746 -19.079 0.271 180 HA LEU 22 HA LEU 22 9.535 -16.310 -0.308 181 1HB LEU 22 1HB LEU 22 7.867 -16.953 -1.630 182 2HB LEU 22 2HB LEU 22 8.273 -18.599 -1.186 183 HG LEU 22 HG LEU 22 6.265 -16.936 0.314 184 1HD1 LEU 22 1HD1 LEU 22 5.484 -17.138 -1.945 185 2HD1 LEU 22 2HD1 LEU 22 4.559 -18.232 -0.914 186 3HD1 LEU 22 3HD1 LEU 22 5.836 -18.869 -1.950 187 1HD2 LEU 22 1HD2 LEU 22 5.730 -18.791 1.509 188 2HD2 LEU 22 2HD2 LEU 22 7.451 -19.096 1.243 189 3HD2 LEU 22 3HD2 LEU 22 6.246 -19.899 0.235 190 H GLU 23 H GLU 23 9.084 -18.138 2.487 191 HA GLU 23 HA GLU 23 6.945 -17.220 3.836 192 1HB GLU 23 1HB GLU 23 8.655 -18.704 4.808 193 2HB GLU 23 2HB GLU 23 9.747 -17.336 4.970 194 1HG GLU 23 2HG GLU 23 8.198 -16.276 6.527 195 2HG GLU 23 1HG GLU 23 7.094 -17.639 6.360 196 H THR 24 H THR 24 9.668 -15.313 2.832 197 HA THR 24 HA THR 24 9.506 -13.102 4.486 198 HB THR 24 HB THR 24 11.277 -13.254 2.858 199 HG1 THR 24 1HG THR 24 11.285 -11.147 2.840 200 1HG2 THR 24 1HG2 THR 24 11.013 -13.610 0.649 201 2HG2 THR 24 2HG2 THR 24 9.647 -12.501 0.531 202 3HG2 THR 24 3HG2 THR 24 9.399 -14.148 1.110 203 H LEU 25 H LEU 25 7.526 -13.946 1.674 204 HA LEU 25 HA LEU 25 6.058 -11.524 1.685 205 1HB LEU 25 2HB LEU 25 4.352 -12.878 0.351 206 2HB LEU 25 1HB LEU 25 5.922 -12.596 -0.355 207 HG LEU 25 HG LEU 25 6.578 -14.915 0.253 208 1HD1 LEU 25 1HD2 LEU 25 4.059 -16.114 0.551 209 2HD1 LEU 25 2HD2 LEU 25 4.138 -14.822 1.748 210 3HD1 LEU 25 3HD2 LEU 25 5.387 -16.073 1.714 211 1HD2 LEU 25 1HD1 LEU 25 4.600 -14.065 -1.689 212 2HD2 LEU 25 2HD1 LEU 25 4.454 -15.777 -1.291 213 3HD2 LEU 25 3HD1 LEU 25 5.988 -15.138 -1.881 214 H GLU 26 H GLU 26 5.486 -14.728 3.120 215 HA GLU 26 HA GLU 26 2.938 -14.207 4.117 216 1HB GLU 26 2HB GLU 26 3.813 -16.431 4.280 217 2HB GLU 26 1HB GLU 26 5.182 -15.892 5.252 218 1HG GLU 26 2HG GLU 26 3.544 -15.237 7.028 219 2HG GLU 26 1HG GLU 26 2.287 -16.012 6.064 220 H GLU 27 H GLU 27 6.053 -13.024 4.956 221 HA GLU 27 HA GLU 27 5.250 -11.948 7.524 222 1HB GLU 27 2HB GLU 27 7.733 -11.327 5.918 223 2HB GLU 27 1HB GLU 27 7.480 -11.031 7.632 224 1HG GLU 27 1HG GLU 27 7.624 -13.729 6.313 225 2HG GLU 27 2HG GLU 27 8.908 -12.962 7.246 226 H MET 28 H MET 28 6.267 -10.577 4.396 227 HA MET 28 HA MET 28 5.251 -7.970 5.153 228 1HB MET 28 1HB MET 28 6.543 -8.824 2.563 229 2HB MET 28 2HB MET 28 6.272 -7.173 3.105 230 1HG MET 28 1HG MET 28 8.113 -9.190 4.367 231 2HG MET 28 2HG MET 28 8.584 -7.793 3.400 232 1HE MET 28 1HE MET 28 9.960 -8.334 5.780 233 2HE MET 28 2HE MET 28 9.691 -7.257 7.151 234 3HE MET 28 3HE MET 28 10.212 -6.599 5.601 235 H LEU 29 H LEU 29 4.636 -10.387 2.644 236 HA LEU 29 HA LEU 29 2.655 -9.051 1.204 237 1HB LEU 29 1HB LEU 29 3.793 -11.124 0.496 238 2HB LEU 29 2HB LEU 29 2.909 -12.017 1.714 239 HG LEU 29 HG LEU 29 0.837 -11.683 0.542 240 1HD1 LEU 29 1HD2 LEU 29 2.132 -10.350 -1.754 241 2HD1 LEU 29 2HD2 LEU 29 1.794 -9.365 -0.328 242 3HD1 LEU 29 3HD2 LEU 29 0.483 -10.217 -1.145 243 1HD2 LEU 29 1HD1 LEU 29 1.490 -12.712 -1.698 244 2HD2 LEU 29 2HD1 LEU 29 1.985 -13.577 -0.242 245 3HD2 LEU 29 3HD1 LEU 29 3.157 -12.602 -1.131 246 H GLU 30 H GLU 30 2.380 -11.026 4.112 247 HA GLU 30 HA GLU 30 -0.442 -11.094 4.207 248 1HB GLU 30 1HB GLU 30 0.856 -12.653 5.517 249 2HB GLU 30 2HB GLU 30 1.617 -11.340 6.404 250 1HG GLU 30 1HG GLU 30 -0.543 -10.751 7.383 251 2HG GLU 30 2HG GLU 30 -1.300 -12.074 6.499 252 H LYS 31 H LYS 31 1.898 -8.696 5.186 253 HA LYS 31 HA LYS 31 -0.073 -7.193 6.721 254 1HB LYS 31 2HB LYS 31 2.691 -6.247 6.004 255 2HB LYS 31 1HB LYS 31 1.701 -5.798 7.389 256 1HG LYS 31 2HG LYS 31 3.004 -8.461 6.898 257 2HG LYS 31 1HG LYS 31 3.494 -7.252 8.087 258 1HD LYS 31 2HD LYS 31 1.413 -7.547 9.292 259 2HD LYS 31 1HD LYS 31 0.827 -8.665 8.057 260 1HE LYS 31 2HE LYS 31 2.616 -10.224 8.597 261 2HE LYS 31 1HE LYS 31 3.243 -9.104 9.809 262 1HZ LYS 31 1HZ LYS 31 0.487 -10.180 9.930 263 2HZ LYS 31 2HZ LYS 31 1.369 -9.423 11.159 264 3HZ LYS 31 3HZ LYS 31 1.799 -10.975 10.644 265 H LEU 32 H LEU 32 1.647 -7.067 3.712 266 HA LEU 32 HA LEU 32 0.888 -4.512 2.848 267 1HB LEU 32 2HB LEU 32 2.678 -5.852 1.846 268 2HB LEU 32 1HB LEU 32 1.485 -6.983 1.236 269 HG LEU 32 HG LEU 32 0.596 -5.333 -0.266 270 1HD1 LEU 32 1HD2 LEU 32 2.313 -3.122 0.015 271 2HD1 LEU 32 2HD2 LEU 32 1.702 -3.502 1.625 272 3HD1 LEU 32 3HD2 LEU 32 0.575 -3.192 0.304 273 1HD2 LEU 32 1HD1 LEU 32 3.048 -4.507 -1.155 274 2HD2 LEU 32 2HD1 LEU 32 2.274 -6.043 -1.545 275 3HD2 LEU 32 3HD1 LEU 32 3.436 -5.950 -0.221 276 H GLU 33 H GLU 33 -0.793 -7.521 3.076 277 HA GLU 33 HA GLU 33 -2.913 -6.638 1.286 278 1HB GLU 33 2HB GLU 33 -3.936 -8.745 1.590 279 2HB GLU 33 1HB GLU 33 -2.215 -9.062 1.479 280 1HG GLU 33 2HG GLU 33 -3.009 -10.464 3.173 281 2HG GLU 33 1HG GLU 33 -2.197 -9.143 4.007 282 H VAL 34 H VAL 34 -2.105 -6.712 4.669 283 HA VAL 34 HA VAL 34 -4.705 -6.197 5.714 284 HB VAL 34 HB VAL 34 -2.188 -5.176 6.965 285 1HG1 VAL 34 1HG2 VAL 34 -3.705 -4.466 8.432 286 2HG1 VAL 34 2HG2 VAL 34 -3.814 -6.153 8.936 287 3HG1 VAL 34 3HG2 VAL 34 -4.963 -5.507 7.765 288 1HG2 VAL 34 1HG1 VAL 34 -3.236 -7.992 6.953 289 2HG2 VAL 34 2HG1 VAL 34 -2.194 -7.385 8.239 290 3HG2 VAL 34 3HG1 VAL 34 -1.609 -7.429 6.577 291 H VAL 35 H VAL 35 -1.947 -4.184 4.745 292 HA VAL 35 HA VAL 35 -2.946 -1.710 5.512 293 HB VAL 35 HB VAL 35 -1.659 -0.703 3.623 294 1HG1 VAL 35 1HG2 VAL 35 0.560 -2.054 4.372 295 2HG1 VAL 35 2HG2 VAL 35 -0.546 -2.472 5.683 296 3HG1 VAL 35 3HG2 VAL 35 -0.202 -0.780 5.325 297 1HG2 VAL 35 1HG1 VAL 35 -2.029 -2.544 2.026 298 2HG2 VAL 35 2HG1 VAL 35 -0.913 -3.538 2.964 299 3HG2 VAL 35 3HG1 VAL 35 -0.337 -2.071 2.171 300 H VAL 36 H VAL 36 -3.578 -3.621 2.612 301 HA VAL 36 HA VAL 36 -5.544 -1.662 1.756 302 HB VAL 36 HB VAL 36 -5.938 -3.802 0.100 303 1HG1 VAL 36 1HG2 VAL 36 -5.943 -1.583 -0.667 304 2HG1 VAL 36 2HG2 VAL 36 -4.617 -2.384 -1.517 305 3HG1 VAL 36 3HG2 VAL 36 -4.278 -1.321 -0.151 306 1HG2 VAL 36 1HG1 VAL 36 -3.794 -4.724 1.226 307 2HG2 VAL 36 2HG1 VAL 36 -2.970 -3.544 0.210 308 3HG2 VAL 36 3HG1 VAL 36 -3.962 -4.805 -0.527 309 H ASN 37 H ASN 37 -5.408 -4.529 3.618 310 HA ASN 37 HA ASN 37 -8.009 -5.513 3.217 311 1HB ASN 37 2HB ASN 37 -6.061 -6.465 4.662 312 2HB ASN 37 1HB ASN 37 -6.706 -5.434 5.936 313 1HD2 ASN 37 1HD2 ASN 37 -6.623 -8.455 4.958 314 2HD2 ASN 37 2HD2 ASN 37 -8.178 -9.025 5.472 315 H GLU 38 H GLU 38 -6.657 -2.974 5.212 316 HA GLU 38 HA GLU 38 -9.264 -2.193 6.231 317 1HB GLU 38 2HB GLU 38 -8.012 -0.328 7.298 318 2HB GLU 38 1HB GLU 38 -7.410 -1.922 7.729 319 1HG GLU 38 1HG GLU 38 -5.585 -1.665 6.128 320 2HG GLU 38 2HG GLU 38 -6.189 -0.065 5.702 321 H ARG 39 H ARG 39 -6.875 -0.981 3.902 322 HA ARG 39 HA ARG 39 -8.320 1.380 3.228 323 1HB ARG 39 1HB ARG 39 -6.000 -0.083 2.079 324 2HB ARG 39 2HB ARG 39 -6.832 1.065 1.052 325 1HG ARG 39 2HG ARG 39 -4.945 2.111 2.108 326 2HG ARG 39 1HG ARG 39 -6.444 2.817 2.716 327 1HD ARG 39 2HD ARG 39 -5.536 0.535 4.263 328 2HD ARG 39 1HD ARG 39 -4.382 1.874 4.256 329 HE ARG 39 HE ARG 39 -6.776 1.752 5.718 330 1HH1 ARG 39 1HH1 ARG 39 -4.988 3.959 3.704 331 2HH1 ARG 39 2HH1 ARG 39 -5.613 5.378 4.481 332 1HH2 ARG 39 1HH2 ARG 39 -7.612 3.611 6.740 333 2HH2 ARG 39 2HH2 ARG 39 -7.105 5.179 6.207 334 H ARG 40 H ARG 40 -7.844 -1.665 1.433 335 HA ARG 40 HA ARG 40 -9.475 -1.185 -0.723 336 1HB ARG 40 2HB ARG 40 -8.945 -3.745 0.764 337 2HB ARG 40 1HB ARG 40 -10.105 -3.719 -0.552 338 1HG ARG 40 2HG ARG 40 -7.204 -2.951 -0.763 339 2HG ARG 40 1HG ARG 40 -7.919 -4.473 -1.313 340 1HD ARG 40 1HD ARG 40 -8.495 -1.695 -2.347 341 2HD ARG 40 2HD ARG 40 -7.666 -2.999 -3.197 342 HE ARG 40 HE ARG 40 -10.194 -3.927 -2.490 343 1HH1 ARG 40 1HH1 ARG 40 -8.779 -1.501 -4.549 344 2HH1 ARG 40 2HH1 ARG 40 -10.081 -1.526 -5.692 345 1HH2 ARG 40 1HH2 ARG 40 -11.912 -3.968 -3.986 346 2HH2 ARG 40 2HH2 ARG 40 -11.863 -2.929 -5.370 347 H GLU 41 H GLU 41 -10.477 -2.117 2.538 348 HA GLU 41 HA GLU 41 -13.257 -2.294 1.782 349 1HB GLU 41 1HB GLU 41 -11.917 -2.338 4.484 350 2HB GLU 41 2HB GLU 41 -13.638 -2.593 4.226 351 1HG GLU 41 1HG GLU 41 -13.122 -4.549 2.835 352 2HG GLU 41 2HG GLU 41 -11.405 -4.303 3.151 353 H GLU 42 H GLU 42 -11.294 0.084 3.582 354 HA GLU 42 HA GLU 42 -13.603 1.763 4.045 355 1HB GLU 42 1HB GLU 42 -10.673 2.222 4.617 356 2HB GLU 42 2HB GLU 42 -11.975 3.294 5.116 357 1HG GLU 42 1HG GLU 42 -11.615 0.433 5.977 358 2HG GLU 42 2HG GLU 42 -11.250 1.863 6.941 359 H GLU 43 H GLU 43 -10.681 1.913 2.082 360 HA GLU 43 HA GLU 43 -11.046 4.463 1.018 361 1HB GLU 43 2HB GLU 43 -8.941 3.342 0.809 362 2HB GLU 43 1HB GLU 43 -9.671 2.054 -0.139 363 1HG GLU 43 1HG GLU 43 -8.399 3.637 -1.495 364 2HG GLU 43 2HG GLU 43 -10.096 3.564 -1.958 365 H SER 44 H SER 44 -12.040 1.294 -0.283 366 HA SER 44 HA SER 44 -13.209 2.195 -2.646 367 1HB SER 44 2HB SER 44 -14.593 0.157 -2.562 368 2HB SER 44 1HB SER 44 -12.926 -0.204 -2.112 369 HG SER 44 HG SER 44 -14.511 -1.147 -0.704 370 H ALA 45 H ALA 45 -14.283 2.192 0.644 371 HA ALA 45 HA ALA 45 -16.980 2.960 0.220 372 1HB ALA 45 1HB ALA 45 -15.125 2.674 2.490 373 2HB ALA 45 2HB ALA 45 -16.816 2.185 2.335 374 3HB ALA 45 3HB ALA 45 -16.416 3.860 2.714 375 H ALA 46 H ALA 46 -13.986 4.729 0.909 376 HA ALA 46 HA ALA 46 -15.091 7.300 1.140 377 1HB ALA 46 1HB ALA 46 -12.866 8.117 0.962 378 2HB ALA 46 2HB ALA 46 -12.334 6.680 0.090 379 3HB ALA 46 3HB ALA 46 -12.765 6.568 1.797 380 H ALA 47 H ALA 47 -13.864 5.509 -1.649 381 HA ALA 47 HA ALA 47 -14.163 7.673 -3.487 382 1HB ALA 47 1HB ALA 47 -14.203 5.025 -4.686 383 2HB ALA 47 2HB ALA 47 -12.889 5.236 -3.529 384 3HB ALA 47 3HB ALA 47 -13.052 6.347 -4.890 385 H ALA 48 H ALA 48 -16.098 4.794 -2.753 386 HA ALA 48 HA ALA 48 -18.034 5.129 -4.745 387 1HB ALA 48 1HB ALA 48 -19.381 3.576 -3.498 388 2HB ALA 48 2HB ALA 48 -18.435 3.870 -2.038 389 3HB ALA 48 3HB ALA 48 -17.693 3.066 -3.420 390 H GLU 49 H GLU 49 -18.024 6.248 -1.365 391 HA GLU 49 HA GLU 49 -20.595 7.396 -1.432 392 1HB GLU 49 2HB GLU 49 -19.949 8.568 0.606 393 2HB GLU 49 1HB GLU 49 -19.431 6.891 0.661 394 1HG GLU 49 1HG GLU 49 -17.159 7.570 0.076 395 2HG GLU 49 2HG GLU 49 -17.681 9.254 0.025 396 H VAL 50 H VAL 50 -17.394 8.785 -2.030 397 HA VAL 50 HA VAL 50 -16.731 10.612 -3.218 398 HB VAL 50 HB VAL 50 -19.646 10.884 -3.974 399 1HG1 VAL 50 1HG2 VAL 50 -17.253 12.148 -5.297 400 2HG1 VAL 50 2HG2 VAL 50 -18.291 12.982 -4.141 401 3HG1 VAL 50 3HG2 VAL 50 -18.956 12.413 -5.672 402 1HG2 VAL 50 1HG1 VAL 50 -17.331 9.431 -5.190 403 2HG2 VAL 50 2HG1 VAL 50 -18.640 10.035 -6.207 404 3HG2 VAL 50 3HG1 VAL 50 -18.983 8.878 -4.922 405 H GLU 51 H GLU 51 -19.954 11.461 -1.928 406 HA GLU 51 HA GLU 51 -20.632 12.989 -0.398 407 1HB GLU 51 2HB GLU 51 -18.801 12.146 1.008 408 2HB GLU 51 1HB GLU 51 -17.698 13.287 0.252 409 1HG GLU 51 1HG GLU 51 -18.967 15.146 1.151 410 2HG GLU 51 2HG GLU 51 -20.131 14.028 1.860 411 H GLU 52 H GLU 52 -17.943 13.935 -2.469 412 HA GLU 52 HA GLU 52 -18.211 16.714 -2.247 413 1HB GLU 52 2HB GLU 52 -17.279 15.071 -4.609 414 2HB GLU 52 1HB GLU 52 -17.045 16.804 -4.429 415 1HG GLU 52 1HG GLU 52 -15.940 14.711 -2.571 416 2HG GLU 52 2HG GLU 52 -15.042 15.492 -3.872 417 H ARG 53 H ARG 53 -19.629 14.450 -4.594 418 HA ARG 53 HA ARG 53 -21.103 16.422 -5.996 419 1HB ARG 53 1HB ARG 53 -21.563 13.440 -5.800 420 2HB ARG 53 2HB ARG 53 -22.325 14.507 -6.971 421 1HG ARG 53 2HG ARG 53 -19.369 13.971 -6.744 422 2HG ARG 53 1HG ARG 53 -20.460 13.279 -7.947 423 1HD ARG 53 1HD ARG 53 -19.859 16.214 -7.595 424 2HD ARG 53 2HD ARG 53 -19.187 15.171 -8.847 425 HE ARG 53 HE ARG 53 -21.678 16.472 -8.928 426 1HH1 ARG 53 1HH1 ARG 53 -20.217 13.400 -9.694 427 2HH1 ARG 53 2HH1 ARG 53 -21.358 13.024 -10.940 428 1HH2 ARG 53 1HH2 ARG 53 -23.181 15.983 -10.568 429 2HH2 ARG 53 2HH2 ARG 53 -23.042 14.492 -11.439 430 H THR 54 H THR 54 -21.910 14.234 -3.338 431 HA THR 54 HA THR 54 -24.661 14.834 -3.214 432 HB THR 54 HB THR 54 -24.605 13.909 -0.941 433 HG1 THR 54 1HG THR 54 -22.764 14.459 0.027 434 1HG2 THR 54 1HG2 THR 54 -23.723 11.687 -1.493 435 2HG2 THR 54 2HG2 THR 54 -22.883 12.367 -2.887 436 3HG2 THR 54 3HG2 THR 54 -24.646 12.363 -2.835 437 H ARG 55 H ARG 55 -25.804 16.401 -2.199 438 HA ARG 55 HA ARG 55 -24.567 18.861 -1.617 439 1HB ARG 55 1HB ARG 55 -27.339 17.836 -0.997 440 2HB ARG 55 2HB ARG 55 -26.829 19.488 -0.685 441 1HG ARG 55 1HG ARG 55 -28.036 19.439 -2.742 442 2HG ARG 55 2HG ARG 55 -26.335 19.740 -3.103 443 1HD ARG 55 2HD ARG 55 -26.039 17.386 -3.684 444 2HD ARG 55 1HD ARG 55 -27.735 17.077 -3.313 445 HE ARG 55 HE ARG 55 -27.616 19.118 -5.218 446 1HH1 ARG 55 1HH1 ARG 55 -26.898 15.719 -4.937 447 2HH1 ARG 55 2HH1 ARG 55 -27.197 15.387 -6.611 448 1HH2 ARG 55 1HH2 ARG 55 -28.012 18.689 -7.422 449 2HH2 ARG 55 2HH2 ARG 55 -27.831 17.075 -8.023 450 H LYS 56 H LYS 56 -26.047 16.445 0.538 451 HA LYS 56 HA LYS 56 -25.849 16.063 2.772 452 1HB LYS 56 2HB LYS 56 -23.504 15.628 2.023 453 2HB LYS 56 1HB LYS 56 -23.108 17.292 2.426 454 1HG LYS 56 1HG LYS 56 -23.685 16.861 4.766 455 2HG LYS 56 2HG LYS 56 -24.065 15.187 4.356 456 1HD LYS 56 2HD LYS 56 -21.841 15.322 5.307 457 2HD LYS 56 1HD LYS 56 -21.743 14.865 3.605 458 1HE LYS 56 1HE LYS 56 -21.212 17.176 3.013 459 2HE LYS 56 2HE LYS 56 -21.319 17.639 4.711 460 1HZ LYS 56 1HZ LYS 56 -19.178 16.329 3.294 461 2HZ LYS 56 2HZ LYS 56 -19.556 15.606 4.776 462 3HZ LYS 56 3HZ LYS 56 -19.134 17.244 4.716 463 H LEU 57 H LEU 57 -27.282 18.301 2.256 464 HA LEU 57 HA LEU 57 -26.393 20.674 3.462 465 1HB LEU 57 1HB LEU 57 -29.209 19.625 3.166 466 2HB LEU 57 2HB LEU 57 -28.789 21.274 3.582 467 HG LEU 57 HG LEU 57 -28.113 19.903 0.976 468 1HD1 LEU 57 1HD1 LEU 57 -30.149 22.037 1.602 469 2HD1 LEU 57 2HD1 LEU 57 -30.502 20.353 1.213 470 3HD1 LEU 57 3HD1 LEU 57 -29.767 21.404 0.001 471 1HD2 LEU 57 1HD2 LEU 57 -27.670 22.383 0.367 472 2HD2 LEU 57 2HD2 LEU 57 -26.433 21.471 1.235 473 3HD2 LEU 57 3HD2 LEU 57 -27.475 22.596 2.107 474 H SER 1 1HT SER 1 -12.282 -6.858 -1.150 475 HA SER 1 HA SER 1 -11.071 -8.083 0.767 476 1HB SER 1 2HB SER 1 -12.867 -10.216 -0.422 477 2HB SER 1 1HB SER 1 -11.544 -10.511 0.706 478 HG SER 1 HG SER 1 -14.077 -9.526 1.167 479 H GLU 2 H GLU 2 -10.654 -6.866 -1.728 480 HA GLU 2 HA GLU 2 -9.635 -8.795 -3.593 481 1HB GLU 2 2HB GLU 2 -10.538 -6.657 -4.378 482 2HB GLU 2 1HB GLU 2 -9.285 -5.794 -3.496 483 1HG GLU 2 2HG GLU 2 -7.576 -6.767 -4.904 484 2HG GLU 2 1HG GLU 2 -8.786 -7.735 -5.743 485 H ALA 3 H ALA 3 -8.379 -6.959 -0.939 486 HA ALA 3 HA ALA 3 -5.604 -7.240 -1.616 487 1HB ALA 3 1HB ALA 3 -6.523 -5.439 -0.143 488 2HB ALA 3 2HB ALA 3 -5.155 -6.310 0.545 489 3HB ALA 3 3HB ALA 3 -6.792 -6.665 1.096 490 H LEU 4 H LEU 4 -7.984 -9.120 -0.121 491 HA LEU 4 HA LEU 4 -6.224 -10.899 1.291 492 1HB LEU 4 2HB LEU 4 -9.180 -10.917 0.690 493 2HB LEU 4 1HB LEU 4 -8.384 -12.107 1.703 494 HG LEU 4 HG LEU 4 -7.979 -10.526 3.420 495 1HD1 LEU 4 1HD2 LEU 4 -8.681 -8.090 3.073 496 2HD1 LEU 4 2HD2 LEU 4 -8.595 -8.441 1.347 497 3HD1 LEU 4 3HD2 LEU 4 -7.157 -8.610 2.354 498 1HD2 LEU 4 1HD1 LEU 4 -10.104 -10.763 3.998 499 2HD2 LEU 4 2HD1 LEU 4 -10.599 -10.841 2.306 500 3HD2 LEU 4 3HD1 LEU 4 -10.460 -9.278 3.112 501 H LYS 5 H LYS 5 -8.294 -10.952 -1.556 502 HA LYS 5 HA LYS 5 -7.533 -13.618 -2.313 503 1HB LYS 5 1HB LYS 5 -9.803 -12.765 -2.725 504 2HB LYS 5 2HB LYS 5 -9.150 -11.533 -3.792 505 1HG LYS 5 1HG LYS 5 -8.700 -14.443 -4.337 506 2HG LYS 5 2HG LYS 5 -10.189 -13.630 -4.833 507 1HD LYS 5 2HD LYS 5 -8.900 -12.027 -6.130 508 2HD LYS 5 1HD LYS 5 -7.397 -12.785 -5.603 509 1HE LYS 5 1HE LYS 5 -8.008 -13.512 -7.851 510 2HE LYS 5 2HE LYS 5 -8.045 -14.859 -6.714 511 1HZ LYS 5 1HZ LYS 5 -10.050 -14.127 -8.415 512 2HZ LYS 5 2HZ LYS 5 -10.575 -13.551 -6.914 513 3HZ LYS 5 3HZ LYS 5 -10.192 -15.187 -7.102 514 H ILE 6 H ILE 6 -6.459 -10.385 -3.030 515 HA ILE 6 HA ILE 6 -5.284 -10.700 -5.517 516 HB ILE 6 HB ILE 6 -5.385 -8.515 -4.376 517 1HG1 ILE 6 2HG1 ILE 6 -3.662 -8.876 -6.140 518 2HG1 ILE 6 1HG1 ILE 6 -3.217 -7.679 -4.936 519 1HG2 ILE 6 1HG2 ILE 6 -4.134 -7.934 -2.501 520 2HG2 ILE 6 2HG2 ILE 6 -3.151 -9.396 -2.590 521 3HG2 ILE 6 3HG2 ILE 6 -4.846 -9.500 -2.118 522 1HD1 ILE 6 1HD1 ILE 6 -1.899 -10.160 -5.636 523 2HD1 ILE 6 2HD1 ILE 6 -2.093 -9.916 -3.900 524 3HD1 ILE 6 3HD1 ILE 6 -1.262 -8.702 -4.873 525 H LEU 7 H LEU 7 -3.718 -10.986 -2.363 526 HA LEU 7 HA LEU 7 -1.575 -12.533 -3.500 527 1HB LEU 7 1HB LEU 7 -0.406 -11.888 -1.683 528 2HB LEU 7 2HB LEU 7 -1.731 -10.777 -1.401 529 HG LEU 7 HG LEU 7 -2.733 -12.808 -0.051 530 1HD1 LEU 7 1HD1 LEU 7 -1.389 -14.560 0.160 531 2HD1 LEU 7 2HD1 LEU 7 -0.248 -13.536 1.035 532 3HD1 LEU 7 3HD1 LEU 7 -0.103 -13.727 -0.713 533 1HD2 LEU 7 1HD2 LEU 7 -2.419 -10.870 1.135 534 2HD2 LEU 7 2HD2 LEU 7 -0.700 -10.775 0.740 535 3HD2 LEU 7 3HD2 LEU 7 -1.270 -11.949 1.927 536 H ASN 8 H ASN 8 -4.653 -12.956 -2.402 537 HA ASN 8 HA ASN 8 -5.943 -14.769 -1.891 538 1HB ASN 8 2HB ASN 8 -4.801 -15.656 -3.950 539 2HB ASN 8 1HB ASN 8 -3.618 -16.427 -2.896 540 1HD2 ASN 8 2HD2 ASN 8 -6.548 -16.417 -1.338 541 2HD2 ASN 8 1HD2 ASN 8 -7.094 -18.006 -1.783 542 H ASN 9 H ASN 9 -4.258 -13.655 0.123 543 HA ASN 9 HA ASN 9 -3.612 -13.995 2.263 544 1HB ASN 9 2HB ASN 9 -5.132 -16.588 1.920 545 2HB ASN 9 1HB ASN 9 -4.579 -15.934 3.460 546 1HD2 ASN 9 1HD2 ASN 9 -5.406 -13.317 1.622 547 2HD2 ASN 9 2HD2 ASN 9 -7.041 -13.128 2.139 548 H ILE 10 H ILE 10 -1.693 -14.483 3.082 549 HA ILE 10 HA ILE 10 0.230 -15.972 1.715 550 HB ILE 10 HB ILE 10 1.654 -15.745 3.638 551 1HG1 ILE 10 1HG1 ILE 10 -0.031 -16.348 5.363 552 2HG1 ILE 10 2HG1 ILE 10 0.888 -14.906 5.778 553 1HG2 ILE 10 1HG2 ILE 10 -0.045 -13.380 2.929 554 2HG2 ILE 10 2HG2 ILE 10 1.593 -13.780 2.402 555 3HG2 ILE 10 3HG2 ILE 10 1.306 -13.235 4.056 556 1HD1 ILE 10 1HD1 ILE 10 -1.027 -13.879 6.152 557 2HD1 ILE 10 2HD1 ILE 10 -1.941 -15.249 5.522 558 3HD1 ILE 10 3HD1 ILE 10 -1.375 -13.988 4.427 559 H ARG 11 H ARG 11 -2.112 -16.984 4.084 560 HA ARG 11 HA ARG 11 -0.938 -19.327 5.018 561 1HB ARG 11 1HB ARG 11 -3.264 -20.085 5.458 562 2HB ARG 11 2HB ARG 11 -2.949 -18.450 6.023 563 1HG ARG 11 1HG ARG 11 -4.043 -17.563 4.006 564 2HG ARG 11 2HG ARG 11 -4.401 -19.214 3.498 565 1HD ARG 11 2HD ARG 11 -6.357 -18.293 4.526 566 2HD ARG 11 1HD ARG 11 -5.692 -19.528 5.591 567 HE ARG 11 HE ARG 11 -5.886 -16.695 6.110 568 1HH1 ARG 11 1HH1 ARG 11 -4.429 -19.724 7.041 569 2HH1 ARG 11 2HH1 ARG 11 -3.956 -19.157 8.607 570 1HH2 ARG 11 1HH2 ARG 11 -5.268 -15.950 8.167 571 2HH2 ARG 11 2HH2 ARG 11 -4.433 -17.015 9.247 572 H THR 12 H THR 12 -3.119 -18.919 2.230 573 HA THR 12 HA THR 12 -2.741 -21.659 1.403 574 HB THR 12 HB THR 12 -4.174 -19.380 0.024 575 HG1 THR 12 1HG THR 12 -6.027 -20.694 0.785 576 1HG2 THR 12 1HG2 THR 12 -3.526 -21.044 -1.603 577 2HG2 THR 12 2HG2 THR 12 -5.255 -21.190 -1.289 578 3HG2 THR 12 3HG2 THR 12 -4.128 -22.341 -0.571 579 H LEU 13 H LEU 13 -1.646 -18.470 0.388 580 HA LEU 13 HA LEU 13 -0.491 -19.220 -2.053 581 1HB LEU 13 2HB LEU 13 -0.953 -16.893 -1.387 582 2HB LEU 13 1HB LEU 13 0.341 -16.984 -0.209 583 HG LEU 13 HG LEU 13 0.783 -17.344 -3.171 584 1HD1 LEU 13 1HD2 LEU 13 1.765 -14.985 -2.929 585 2HD1 LEU 13 2HD2 LEU 13 0.755 -14.870 -1.488 586 3HD1 LEU 13 3HD2 LEU 13 0.014 -15.155 -3.062 587 1HD2 LEU 13 1HD1 LEU 13 3.123 -16.748 -2.528 588 2HD2 LEU 13 2HD1 LEU 13 2.558 -18.298 -1.895 589 3HD2 LEU 13 3HD1 LEU 13 2.631 -16.884 -0.839 590 H ARG 14 H ARG 14 1.134 -18.672 1.087 591 HA ARG 14 HA ARG 14 3.693 -19.289 0.461 592 1HB ARG 14 1HB ARG 14 3.145 -18.607 2.670 593 2HB ARG 14 2HB ARG 14 2.094 -19.995 2.913 594 1HG ARG 14 2HG ARG 14 4.076 -21.465 2.803 595 2HG ARG 14 1HG ARG 14 5.094 -20.024 2.690 596 1HD ARG 14 1HD ARG 14 4.301 -19.253 4.831 597 2HD ARG 14 2HD ARG 14 3.171 -20.599 4.932 598 HE ARG 14 HE ARG 14 4.873 -21.808 5.831 599 1HH1 ARG 14 1HH1 ARG 14 6.270 -19.400 3.733 600 2HH1 ARG 14 2HH1 ARG 14 7.901 -19.883 4.056 601 1HH2 ARG 14 1HH2 ARG 14 7.016 -22.448 6.259 602 2HH2 ARG 14 2HH2 ARG 14 8.326 -21.614 5.489 603 H ALA 15 H ALA 15 1.040 -21.529 0.860 604 HA ALA 15 HA ALA 15 2.704 -23.877 0.729 605 1HB ALA 15 1HB ALA 15 0.698 -25.117 0.899 606 2HB ALA 15 2HB ALA 15 -0.273 -23.734 0.399 607 3HB ALA 15 3HB ALA 15 0.534 -23.725 1.969 608 H GLN 16 H GLN 16 0.341 -22.334 -1.452 609 HA GLN 16 HA GLN 16 0.598 -24.207 -3.534 610 1HB GLN 16 1HB GLN 16 -0.595 -22.685 -4.894 611 2HB GLN 16 2HB GLN 16 -1.185 -22.384 -3.266 612 1HG GLN 16 2HG GLN 16 0.284 -20.448 -3.083 613 2HG GLN 16 1HG GLN 16 0.899 -20.754 -4.705 614 1HE2 GLN 16 1HE2 GLN 16 -0.825 -18.635 -3.214 615 2HE2 GLN 16 2HE2 GLN 16 -2.074 -18.290 -4.367 616 H ALA 17 H ALA 17 2.337 -21.346 -2.699 617 HA ALA 17 HA ALA 17 4.012 -21.408 -5.052 618 1HB ALA 17 1HB ALA 17 5.164 -19.543 -3.546 619 2HB ALA 17 2HB ALA 17 3.563 -19.556 -2.794 620 3HB ALA 17 3HB ALA 17 3.727 -19.227 -4.522 621 H ARG 18 H ARG 18 4.019 -22.581 -1.813 622 HA ARG 18 HA ARG 18 6.668 -22.678 -1.113 623 1HB ARG 18 2HB ARG 18 4.764 -23.622 0.226 624 2HB ARG 18 1HB ARG 18 4.787 -25.030 -0.828 625 1HG ARG 18 2HG ARG 18 5.973 -25.509 1.217 626 2HG ARG 18 1HG ARG 18 7.105 -25.483 -0.138 627 1HD ARG 18 1HD ARG 18 7.709 -23.162 0.461 628 2HD ARG 18 2HD ARG 18 6.644 -23.270 1.860 629 HE ARG 18 HE ARG 18 8.491 -25.388 1.933 630 1HH1 ARG 18 1HH1 ARG 18 8.347 -21.929 2.312 631 2HH1 ARG 18 2HH1 ARG 18 9.701 -21.862 3.390 632 1HH2 ARG 18 1HH2 ARG 18 10.272 -25.311 3.352 633 2HH2 ARG 18 2HH2 ARG 18 10.795 -23.785 3.981 634 H GLU 19 H GLU 19 5.027 -24.470 -3.598 635 HA GLU 19 HA GLU 19 7.282 -26.225 -4.083 636 1HB GLU 19 2HB GLU 19 4.712 -25.836 -5.627 637 2HB GLU 19 1HB GLU 19 5.911 -27.081 -5.953 638 1HG GLU 19 2HG GLU 19 5.528 -28.028 -3.731 639 2HG GLU 19 1HG GLU 19 4.315 -26.788 -3.418 640 H SER 20 H SER 20 7.668 -23.299 -4.352 641 HA SER 20 HA SER 20 9.130 -23.360 -6.806 642 1HB SER 20 1HB SER 20 7.963 -21.511 -7.935 643 2HB SER 20 2HB SER 20 6.896 -22.899 -7.717 644 HG SER 20 HG SER 20 6.504 -20.418 -6.912 645 H THR 21 H THR 21 9.221 -20.522 -7.190 646 HA THR 21 HA THR 21 10.921 -19.822 -4.925 647 HB THR 21 HB THR 21 11.648 -17.915 -6.354 648 HG1 THR 21 1HG THR 21 10.664 -17.519 -8.197 649 1HG2 THR 21 1HG2 THR 21 12.546 -20.403 -6.416 650 2HG2 THR 21 2HG2 THR 21 13.155 -19.175 -7.528 651 3HG2 THR 21 3HG2 THR 21 11.935 -20.330 -8.068 652 H LEU 22 H LEU 22 10.904 -17.491 -4.223 653 HA LEU 22 HA LEU 22 8.371 -16.823 -3.215 654 1HB LEU 22 2HB LEU 22 9.466 -15.332 -1.944 655 2HB LEU 22 1HB LEU 22 10.904 -16.123 -2.557 656 HG LEU 22 HG LEU 22 9.686 -13.661 -3.794 657 1HD1 LEU 22 1HD1 LEU 22 11.616 -14.007 -1.572 658 2HD1 LEU 22 2HD1 LEU 22 10.403 -12.755 -1.837 659 3HD1 LEU 22 3HD1 LEU 22 11.918 -12.719 -2.741 660 1HD2 LEU 22 1HD2 LEU 22 11.406 -13.609 -5.251 661 2HD2 LEU 22 2HD2 LEU 22 11.286 -15.355 -5.031 662 3HD2 LEU 22 3HD2 LEU 22 12.513 -14.439 -4.156 663 H GLU 23 H GLU 23 9.747 -16.326 -6.251 664 HA GLU 23 HA GLU 23 9.051 -13.916 -7.202 665 1HB GLU 23 1HB GLU 23 9.972 -15.665 -8.623 666 2HB GLU 23 2HB GLU 23 8.471 -16.572 -8.530 667 1HG GLU 23 2HG GLU 23 8.666 -15.435 -10.657 668 2HG GLU 23 1HG GLU 23 7.311 -14.799 -9.727 669 H THR 24 H THR 24 6.840 -16.361 -6.100 670 HA THR 24 HA THR 24 4.444 -15.573 -7.248 671 HB THR 24 HB THR 24 4.941 -16.559 -4.432 672 HG1 THR 24 1HG THR 24 3.702 -18.217 -6.230 673 1HG2 THR 24 1HG2 THR 24 2.824 -15.688 -4.202 674 2HG2 THR 24 2HG2 THR 24 2.444 -17.301 -4.810 675 3HG2 THR 24 3HG2 THR 24 2.427 -15.919 -5.905 676 H LEU 25 H LEU 25 6.117 -14.256 -4.411 677 HA LEU 25 HA LEU 25 4.127 -12.331 -3.839 678 1HB LEU 25 2HB LEU 25 6.000 -11.199 -2.524 679 2HB LEU 25 1HB LEU 25 5.468 -12.780 -2.008 680 HG LEU 25 HG LEU 25 7.473 -13.754 -3.160 681 1HD1 LEU 25 1HD2 LEU 25 8.723 -12.514 -4.498 682 2HD1 LEU 25 2HD2 LEU 25 9.121 -11.457 -3.139 683 3HD1 LEU 25 3HD2 LEU 25 7.719 -11.101 -4.149 684 1HD2 LEU 25 1HD1 LEU 25 7.475 -12.009 -0.793 685 2HD2 LEU 25 2HD1 LEU 25 9.057 -12.461 -1.429 686 3HD2 LEU 25 3HD1 LEU 25 7.907 -13.711 -0.956 687 H GLU 26 H GLU 26 7.172 -12.204 -5.671 688 HA GLU 26 HA GLU 26 7.104 -9.469 -6.223 689 1HB GLU 26 2HB GLU 26 9.072 -10.757 -6.751 690 2HB GLU 26 1HB GLU 26 8.173 -11.760 -7.886 691 1HG GLU 26 2HG GLU 26 7.839 -9.817 -9.332 692 2HG GLU 26 1HG GLU 26 8.736 -8.817 -8.190 693 H GLU 27 H GLU 27 5.214 -12.104 -7.332 694 HA GLU 27 HA GLU 27 4.114 -10.706 -9.614 695 1HB GLU 27 1HB GLU 27 4.335 -13.094 -9.790 696 2HB GLU 27 2HB GLU 27 3.440 -13.339 -8.296 697 1HG GLU 27 2HG GLU 27 2.033 -13.874 -10.154 698 2HG GLU 27 1HG GLU 27 1.434 -12.409 -9.377 699 H MET 28 H MET 28 2.778 -11.995 -6.568 700 HA MET 28 HA MET 28 0.432 -10.320 -6.848 701 1HB MET 28 2HB MET 28 1.159 -12.353 -4.741 702 2HB MET 28 1HB MET 28 -0.383 -11.518 -4.847 703 1HG MET 28 2HG MET 28 -0.783 -12.538 -7.031 704 2HG MET 28 1HG MET 28 0.761 -13.380 -6.917 705 1HE MET 28 1HE MET 28 -0.535 -16.038 -7.103 706 2HE MET 28 2HE MET 28 -1.615 -14.773 -7.692 707 3HE MET 28 3HE MET 28 -2.210 -15.981 -6.554 708 H LEU 29 H LEU 29 3.099 -10.713 -4.545 709 HA LEU 29 HA LEU 29 2.263 -8.792 -2.682 710 1HB LEU 29 2HB LEU 29 3.964 -10.367 -2.111 711 2HB LEU 29 1HB LEU 29 5.015 -9.815 -3.392 712 HG LEU 29 HG LEU 29 5.302 -7.660 -2.172 713 1HD1 LEU 29 1HD2 LEU 29 4.249 -7.156 -0.246 714 2HD1 LEU 29 2HD2 LEU 29 4.222 -8.831 0.302 715 3HD1 LEU 29 3HD2 LEU 29 3.033 -8.269 -0.875 716 1HD2 LEU 29 1HD1 LEU 29 6.960 -9.376 -1.880 717 2HD2 LEU 29 2HD1 LEU 29 5.954 -10.207 -0.691 718 3HD2 LEU 29 3HD1 LEU 29 6.647 -8.630 -0.312 719 H GLU 30 H GLU 30 3.828 -8.453 -5.765 720 HA GLU 30 HA GLU 30 4.663 -5.741 -5.428 721 1HB GLU 30 1HB GLU 30 5.716 -7.101 -7.130 722 2HB GLU 30 2HB GLU 30 4.168 -7.392 -7.913 723 1HG GLU 30 1HG GLU 30 4.005 -5.009 -8.458 724 2HG GLU 30 2HG GLU 30 5.574 -4.739 -7.700 725 H LYS 31 H LYS 31 1.727 -7.340 -6.433 726 HA LYS 31 HA LYS 31 0.514 -4.874 -7.380 727 1HB LYS 31 1HB LYS 31 -0.942 -7.464 -6.932 728 2HB LYS 31 2HB LYS 31 -1.278 -6.199 -8.110 729 1HG LYS 31 1HG LYS 31 1.071 -8.072 -8.124 730 2HG LYS 31 2HG LYS 31 -0.335 -8.154 -9.189 731 1HD LYS 31 1HD LYS 31 0.255 -6.048 -10.205 732 2HD LYS 31 2HD LYS 31 1.569 -5.817 -9.047 733 1HE LYS 31 1HE LYS 31 2.729 -7.754 -9.938 734 2HE LYS 31 2HE LYS 31 1.400 -8.058 -11.058 735 1HZ LYS 31 1HZ LYS 31 2.850 -5.487 -11.078 736 2HZ LYS 31 2HZ LYS 31 1.925 -6.189 -12.307 737 3HZ LYS 31 3HZ LYS 31 3.443 -6.827 -11.923 738 H LEU 32 H LEU 32 0.671 -6.850 -4.581 739 HA LEU 32 HA LEU 32 -1.624 -5.870 -3.239 740 1HB LEU 32 1HB LEU 32 -0.369 -7.970 -2.709 741 2HB LEU 32 2HB LEU 32 0.895 -6.968 -2.018 742 HG LEU 32 HG LEU 32 -0.582 -6.130 -0.322 743 1HD1 LEU 32 1HD2 LEU 32 -2.854 -7.868 -0.925 744 2HD1 LEU 32 2HD2 LEU 32 -2.606 -6.567 -2.089 745 3HD1 LEU 32 3HD2 LEU 32 -2.815 -6.192 -0.379 746 1HD2 LEU 32 1HD1 LEU 32 0.515 -8.300 0.046 747 2HD2 LEU 32 2HD1 LEU 32 -0.939 -9.107 -0.543 748 3HD2 LEU 32 3HD1 LEU 32 -1.000 -8.136 0.927 749 H GLU 33 H GLU 33 1.592 -4.712 -3.760 750 HA GLU 33 HA GLU 33 1.398 -2.734 -1.637 751 1HB GLU 33 1HB GLU 33 3.581 -1.975 -2.312 752 2HB GLU 33 2HB GLU 33 3.593 -3.729 -2.214 753 1HG GLU 33 1HG GLU 33 3.550 -3.942 -4.581 754 2HG GLU 33 2HG GLU 33 3.222 -2.222 -4.791 755 H VAL 34 H VAL 34 1.037 -2.944 -5.129 756 HA VAL 34 HA VAL 34 0.797 -0.127 -5.517 757 HB VAL 34 HB VAL 34 0.032 -0.578 -7.743 758 1HG1 VAL 34 1HG1 VAL 34 2.467 -1.074 -6.950 759 2HG1 VAL 34 2HG1 VAL 34 1.962 -1.495 -8.587 760 3HG1 VAL 34 3HG1 VAL 34 2.044 -2.740 -7.341 761 1HG2 VAL 34 1HG2 VAL 34 -1.174 -2.822 -6.673 762 2HG2 VAL 34 2HG2 VAL 34 0.096 -3.473 -7.710 763 3HG2 VAL 34 3HG2 VAL 34 -1.113 -2.376 -8.377 764 H VAL 35 H VAL 35 -1.487 -2.770 -4.906 765 HA VAL 35 HA VAL 35 -3.875 -1.389 -5.393 766 HB VAL 35 HB VAL 35 -4.935 -2.823 -3.641 767 1HG1 VAL 35 1HG2 VAL 35 -3.500 -3.828 -5.971 768 2HG1 VAL 35 2HG2 VAL 35 -5.171 -4.073 -5.459 769 3HG1 VAL 35 3HG2 VAL 35 -3.884 -5.059 -4.763 770 1HG2 VAL 35 1HG1 VAL 35 -2.257 -3.071 -2.745 771 2HG2 VAL 35 2HG1 VAL 35 -2.867 -4.674 -3.159 772 3HG2 VAL 35 3HG1 VAL 35 -3.739 -3.669 -2.002 773 H VAL 36 H VAL 36 -1.893 -1.648 -2.480 774 HA VAL 36 HA VAL 36 -3.488 0.321 -1.109 775 HB VAL 36 HB VAL 36 -2.355 -1.631 0.035 776 1HG1 VAL 36 1HG1 VAL 36 -0.184 -1.795 -0.574 777 2HG1 VAL 36 2HG1 VAL 36 0.010 -0.805 0.875 778 3HG1 VAL 36 3HG1 VAL 36 0.018 -0.049 -0.719 779 1HG2 VAL 36 1HG2 VAL 36 -1.538 0.116 1.913 780 2HG2 VAL 36 2HG2 VAL 36 -3.224 -0.310 1.607 781 3HG2 VAL 36 3HG2 VAL 36 -2.543 1.158 0.899 782 H ASN 37 H ASN 37 -0.755 0.317 -3.183 783 HA ASN 37 HA ASN 37 0.602 2.593 -2.255 784 1HB ASN 37 1HB ASN 37 1.554 1.197 -4.009 785 2HB ASN 37 2HB ASN 37 0.215 1.585 -5.087 786 1HD2 ASN 37 1HD2 ASN 37 0.806 2.892 -6.623 787 2HD2 ASN 37 2HD2 ASN 37 1.915 4.219 -6.478 788 H GLU 38 H GLU 38 -2.249 2.178 -4.237 789 HA GLU 38 HA GLU 38 -2.583 4.962 -4.826 790 1HB GLU 38 1HB GLU 38 -4.565 2.685 -4.983 791 2HB GLU 38 2HB GLU 38 -4.794 4.287 -5.669 792 1HG GLU 38 1HG GLU 38 -2.899 3.926 -7.161 793 2HG GLU 38 2HG GLU 38 -2.661 2.322 -6.469 794 H ARG 39 H ARG 39 -3.894 2.689 -2.459 795 HA ARG 39 HA ARG 39 -5.698 4.597 -1.299 796 1HB ARG 39 2HB ARG 39 -4.731 1.883 -0.416 797 2HB ARG 39 1HB ARG 39 -5.809 2.859 0.564 798 1HG ARG 39 2HG ARG 39 -7.076 1.248 -0.670 799 2HG ARG 39 1HG ARG 39 -7.437 2.865 -1.267 800 1HD ARG 39 1HD ARG 39 -5.494 2.267 -2.961 801 2HD ARG 39 2HD ARG 39 -6.013 0.625 -2.584 802 HE ARG 39 HE ARG 39 -7.797 0.986 -3.941 803 1HH1 ARG 39 1HH1 ARG 39 -6.733 4.051 -2.680 804 2HH1 ARG 39 2HH1 ARG 39 -7.917 4.971 -3.549 805 1HH2 ARG 39 1HH2 ARG 39 -9.366 2.187 -5.096 806 2HH2 ARG 39 2HH2 ARG 39 -9.414 3.910 -4.924 807 H ARG 40 H ARG 40 -2.606 3.224 -0.336 808 HA ARG 40 HA ARG 40 -2.177 4.375 2.099 809 1HB ARG 40 2HB ARG 40 -0.447 3.450 -0.103 810 2HB ARG 40 1HB ARG 40 0.308 4.624 0.963 811 1HG ARG 40 2HG ARG 40 -0.873 1.970 1.750 812 2HG ARG 40 1HG ARG 40 0.844 2.391 1.682 813 1HD ARG 40 1HD ARG 40 -1.261 3.289 3.625 814 2HD ARG 40 2HD ARG 40 0.314 2.566 3.947 815 HE ARG 40 HE ARG 40 -0.206 5.280 3.903 816 1HH1 ARG 40 1HH1 ARG 40 2.050 3.107 2.361 817 2HH1 ARG 40 2HH1 ARG 40 3.296 4.301 2.231 818 1HH2 ARG 40 1HH2 ARG 40 1.437 6.840 3.744 819 2HH2 ARG 40 2HH2 ARG 40 2.954 6.415 3.025 820 H GLU 41 H GLU 41 -1.774 5.824 -1.095 821 HA GLU 41 HA GLU 41 -0.925 8.356 0.033 822 1HB GLU 41 1HB GLU 41 -1.489 7.558 -2.822 823 2HB GLU 41 2HB GLU 41 -0.803 9.095 -2.317 824 1HG GLU 41 2HG GLU 41 1.135 7.935 -1.397 825 2HG GLU 41 1HG GLU 41 0.447 6.390 -1.894 826 H GLU 42 H GLU 42 -3.781 7.163 -1.754 827 HA GLU 42 HA GLU 42 -5.079 9.742 -1.503 828 1HB GLU 42 1HB GLU 42 -6.060 7.152 -2.705 829 2HB GLU 42 2HB GLU 42 -6.907 8.691 -2.786 830 1HG GLU 42 2HG GLU 42 -4.185 8.140 -3.949 831 2HG GLU 42 1HG GLU 42 -5.698 8.163 -4.851 832 H GLU 43 H GLU 43 -5.657 6.443 -0.348 833 HA GLU 43 HA GLU 43 -8.019 7.017 1.054 834 1HB GLU 43 2HB GLU 43 -7.420 4.750 0.498 835 2HB GLU 43 1HB GLU 43 -5.986 4.848 1.510 836 1HG GLU 43 1HG GLU 43 -7.842 3.596 2.531 837 2HG GLU 43 2HG GLU 43 -7.311 4.971 3.494 838 H SER 44 H SER 44 -4.639 6.906 2.166 839 HA SER 44 HA SER 44 -5.164 7.526 4.858 840 1HB SER 44 1HB SER 44 -2.948 6.759 4.095 841 2HB SER 44 2HB SER 44 -2.738 8.255 3.185 842 HG SER 44 HG SER 44 -1.937 9.020 4.960 843 H ALA 45 H ALA 45 -4.942 9.390 1.953 844 HA ALA 45 HA ALA 45 -4.847 11.984 3.068 845 1HB ALA 45 1HB ALA 45 -5.298 10.777 0.425 846 2HB ALA 45 2HB ALA 45 -4.333 12.184 0.883 847 3HB ALA 45 3HB ALA 45 -6.077 12.343 0.670 848 H ALA 46 H ALA 46 -7.492 9.849 2.078 849 HA ALA 46 HA ALA 46 -9.612 11.659 2.465 850 1HB ALA 46 1HB ALA 46 -10.064 9.701 1.215 851 2HB ALA 46 2HB ALA 46 -10.988 9.537 2.708 852 3HB ALA 46 3HB ALA 46 -9.477 8.650 2.506 853 H ALA 47 H ALA 47 -7.998 9.376 4.617 854 HA ALA 47 HA ALA 47 -9.749 9.771 6.828 855 1HB ALA 47 1HB ALA 47 -7.129 8.956 7.662 856 2HB ALA 47 2HB ALA 47 -7.604 8.074 6.210 857 3HB ALA 47 3HB ALA 47 -8.632 8.035 7.642 858 H ALA 48 H ALA 48 -6.558 11.078 5.995 859 HA ALA 48 HA ALA 48 -6.240 12.642 8.323 860 1HB ALA 48 1HB ALA 48 -4.538 13.874 6.940 861 2HB ALA 48 2HB ALA 48 -5.000 12.842 5.587 862 3HB ALA 48 3HB ALA 48 -4.308 12.128 7.044 863 H GLU 49 H GLU 49 -7.636 13.322 5.164 864 HA GLU 49 HA GLU 49 -7.947 16.076 5.359 865 1HB GLU 49 2HB GLU 49 -8.334 14.801 3.295 866 2HB GLU 49 1HB GLU 49 -9.767 14.075 4.006 867 1HG GLU 49 2HG GLU 49 -10.426 15.821 2.512 868 2HG GLU 49 1HG GLU 49 -10.784 16.315 4.165 869 H VAL 50 H VAL 50 -10.097 13.474 6.442 870 HA VAL 50 HA VAL 50 -11.858 13.441 7.883 871 HB VAL 50 HB VAL 50 -10.675 15.990 8.999 872 1HG1 VAL 50 1HG2 VAL 50 -12.421 13.881 10.269 873 2HG1 VAL 50 2HG2 VAL 50 -12.937 15.499 9.790 874 3HG1 VAL 50 3HG2 VAL 50 -11.751 15.296 11.080 875 1HG2 VAL 50 1HG1 VAL 50 -9.802 14.091 10.673 876 2HG2 VAL 50 2HG1 VAL 50 -8.870 14.648 9.284 877 3HG2 VAL 50 3HG1 VAL 50 -9.817 13.165 9.172 878 H GLU 51 H GLU 51 -12.931 14.076 5.712 879 HA GLU 51 HA GLU 51 -14.003 16.731 5.521 880 1HB GLU 51 1HB GLU 51 -14.744 14.193 4.071 881 2HB GLU 51 2HB GLU 51 -15.342 15.794 3.665 882 1HG GLU 51 1HG GLU 51 -13.062 16.521 3.172 883 2HG GLU 51 2HG GLU 51 -12.467 14.910 3.570 884 H GLU 52 H GLU 52 -14.633 15.935 7.997 885 HA GLU 52 HA GLU 52 -17.454 16.197 8.070 886 1HB GLU 52 2HB GLU 52 -17.229 13.756 7.547 887 2HB GLU 52 1HB GLU 52 -16.368 13.555 9.066 888 1HG GLU 52 1HG GLU 52 -18.341 14.291 10.291 889 2HG GLU 52 2HG GLU 52 -19.205 14.517 8.772 890 H ARG 53 H ARG 53 -15.308 17.633 9.077 891 HA ARG 53 HA ARG 53 -16.076 18.050 11.747 892 1HB ARG 53 1HB ARG 53 -14.793 15.925 12.061 893 2HB ARG 53 2HB ARG 53 -13.363 16.742 11.449 894 1HG ARG 53 2HG ARG 53 -13.310 16.653 13.859 895 2HG ARG 53 1HG ARG 53 -13.476 18.324 13.319 896 1HD ARG 53 1HD ARG 53 -15.894 18.203 13.740 897 2HD ARG 53 2HD ARG 53 -15.701 16.549 14.318 898 HE ARG 53 HE ARG 53 -15.307 18.884 15.823 899 1HH1 ARG 53 1HH1 ARG 53 -13.823 15.780 15.257 900 2HH1 ARG 53 2HH1 ARG 53 -13.083 15.706 16.821 901 1HH2 ARG 53 1HH2 ARG 53 -14.335 18.792 17.882 902 2HH2 ARG 53 2HH2 ARG 53 -13.375 17.416 18.312 903 H THR 54 H THR 54 -15.742 19.589 9.453 904 HA THR 54 HA THR 54 -13.852 21.581 10.433 905 HB THR 54 HB THR 54 -12.919 21.969 8.164 906 HG1 THR 54 1HG THR 54 -13.241 20.302 6.599 907 1HG2 THR 54 1HG2 THR 54 -11.223 20.450 8.412 908 2HG2 THR 54 2HG2 THR 54 -12.323 19.108 8.730 909 3HG2 THR 54 3HG2 THR 54 -11.990 20.292 9.993 910 H ARG 55 H ARG 55 -14.258 22.772 7.571 911 HA ARG 55 HA ARG 55 -17.049 23.622 7.853 912 1HB ARG 55 2HB ARG 55 -14.708 25.513 7.546 913 2HB ARG 55 1HB ARG 55 -16.403 25.975 7.507 914 1HG ARG 55 2HG ARG 55 -14.976 24.762 9.865 915 2HG ARG 55 1HG ARG 55 -15.363 26.471 9.661 916 1HD ARG 55 2HD ARG 55 -17.756 25.896 9.584 917 2HD ARG 55 1HD ARG 55 -17.342 24.204 9.851 918 HE ARG 55 HE ARG 55 -17.635 26.162 11.834 919 1HH1 ARG 55 1HH1 ARG 55 -15.480 23.564 10.956 920 2HH1 ARG 55 2HH1 ARG 55 -14.981 23.258 12.585 921 1HH2 ARG 55 1HH2 ARG 55 -16.981 25.762 13.978 922 2HH2 ARG 55 2HH2 ARG 55 -15.834 24.506 14.302 923 H LYS 56 H LYS 56 -18.092 23.913 5.956 924 HA LYS 56 HA LYS 56 -16.835 24.550 3.501 925 1HB LYS 56 1HB LYS 56 -16.058 22.188 3.787 926 2HB LYS 56 2HB LYS 56 -17.739 21.675 3.766 927 1HG LYS 56 1HG LYS 56 -17.975 22.562 1.494 928 2HG LYS 56 2HG LYS 56 -16.279 23.046 1.517 929 1HD LYS 56 2HD LYS 56 -16.526 20.941 0.339 930 2HD LYS 56 1HD LYS 56 -15.631 20.694 1.840 931 1HE LYS 56 2HE LYS 56 -17.673 19.890 2.925 932 2HE LYS 56 1HE LYS 56 -18.566 20.137 1.425 933 1HZ LYS 56 1HZ LYS 56 -17.531 17.813 2.082 934 2HZ LYS 56 2HZ LYS 56 -16.181 18.461 1.293 935 3HZ LYS 56 3HZ LYS 56 -17.653 18.316 0.471 936 H LEU 57 H LEU 57 -19.002 25.550 4.910 937 HA LEU 57 HA LEU 57 -21.498 24.554 4.043 938 1HB LEU 57 2HB LEU 57 -22.447 26.596 4.866 939 2HB LEU 57 1HB LEU 57 -21.213 26.056 5.984 940 HG LEU 57 HG LEU 57 -20.770 28.216 3.923 941 1HD1 LEU 57 1HD2 LEU 57 -20.826 29.159 6.622 942 2HD1 LEU 57 2HD2 LEU 57 -22.343 28.345 6.241 943 3HD1 LEU 57 3HD2 LEU 57 -21.782 29.682 5.237 944 1HD2 LEU 57 1HD1 LEU 57 -19.006 28.635 5.943 945 2HD2 LEU 57 2HD1 LEU 57 -18.639 27.758 4.457 946 3HD2 LEU 57 3HD1 LEU 57 -19.089 26.874 5.916 Start of MODEL 6 1 H SER 1 1HT SER 1 3.444 5.521 -1.381 2 HA SER 1 HA SER 1 5.590 4.904 -0.821 3 1HB SER 1 1HB SER 1 6.175 6.444 1.021 4 2HB SER 1 2HB SER 1 5.005 7.171 -0.081 5 HG SER 1 HG SER 1 4.766 6.607 2.563 6 H GLU 2 H GLU 2 3.411 4.277 1.906 7 HA GLU 2 HA GLU 2 5.327 2.752 3.371 8 1HB GLU 2 1HB GLU 2 3.460 3.921 4.472 9 2HB GLU 2 2HB GLU 2 2.319 2.863 3.654 10 1HG GLU 2 1HG GLU 2 3.159 0.952 4.846 11 2HG GLU 2 2HG GLU 2 4.437 1.924 5.575 12 H ALA 3 H ALA 3 3.002 2.077 0.899 13 HA ALA 3 HA ALA 3 2.911 -0.770 1.293 14 1HB ALA 3 1HB ALA 3 1.100 0.558 0.191 15 2HB ALA 3 2HB ALA 3 1.646 -0.837 -0.740 16 3HB ALA 3 3HB ALA 3 2.180 0.784 -1.185 17 H LEU 4 H LEU 4 4.959 1.454 -0.183 18 HA LEU 4 HA LEU 4 6.236 -0.391 -1.995 19 1HB LEU 4 1HB LEU 4 6.754 2.470 -1.198 20 2HB LEU 4 2HB LEU 4 7.709 1.611 -2.392 21 HG LEU 4 HG LEU 4 5.945 1.582 -3.951 22 1HD1 LEU 4 1HD2 LEU 4 3.639 2.493 -3.262 23 2HD1 LEU 4 2HD2 LEU 4 4.148 2.136 -1.612 24 3HD1 LEU 4 3HD2 LEU 4 4.054 0.840 -2.806 25 1HD2 LEU 4 1HD1 LEU 4 6.517 3.715 -4.261 26 2HD2 LEU 4 2HD1 LEU 4 6.475 4.070 -2.532 27 3HD2 LEU 4 3HD1 LEU 4 4.983 4.084 -3.470 28 H LYS 5 H LYS 5 6.961 1.366 0.964 29 HA LYS 5 HA LYS 5 9.554 0.185 1.298 30 1HB LYS 5 2HB LYS 5 9.063 2.497 2.000 31 2HB LYS 5 1HB LYS 5 7.922 1.886 3.188 32 1HG LYS 5 2HG LYS 5 10.776 1.004 3.241 33 2HG LYS 5 1HG LYS 5 10.293 2.552 3.937 34 1HD LYS 5 1HD LYS 5 8.693 1.411 5.383 35 2HD LYS 5 2HD LYS 5 9.149 -0.138 4.672 36 1HE LYS 5 2HE LYS 5 10.252 0.210 6.825 37 2HE LYS 5 1HE LYS 5 11.423 0.134 5.509 38 1HZ LYS 5 1HZ LYS 5 11.787 1.940 7.184 39 2HZ LYS 5 2HZ LYS 5 10.391 2.690 6.594 40 3HZ LYS 5 3HZ LYS 5 11.721 2.459 5.574 41 H ILE 6 H ILE 6 6.313 -0.558 2.308 42 HA ILE 6 HA ILE 6 6.712 -1.988 4.643 43 HB ILE 6 HB ILE 6 4.460 -1.631 3.841 44 1HG1 ILE 6 2HG1 ILE 6 5.210 -4.559 3.719 45 2HG1 ILE 6 1HG1 ILE 6 4.780 -3.646 5.155 46 1HG2 ILE 6 1HG2 ILE 6 4.949 -3.495 1.547 47 2HG2 ILE 6 2HG2 ILE 6 5.189 -1.753 1.406 48 3HG2 ILE 6 3HG2 ILE 6 3.597 -2.395 1.813 49 1HD1 ILE 6 1HD1 ILE 6 2.613 -3.234 3.581 50 2HD1 ILE 6 2HD1 ILE 6 2.741 -4.492 4.812 51 3HD1 ILE 6 3HD1 ILE 6 3.086 -4.871 3.121 52 H LEU 7 H LEU 7 6.629 -3.148 1.342 53 HA LEU 7 HA LEU 7 7.943 -5.609 2.093 54 1HB LEU 7 2HB LEU 7 6.914 -6.517 0.297 55 2HB LEU 7 1HB LEU 7 5.913 -5.077 0.369 56 HG LEU 7 HG LEU 7 7.790 -4.110 -1.231 57 1HD1 LEU 7 1HD1 LEU 7 8.008 -6.421 -2.746 58 2HD1 LEU 7 2HD1 LEU 7 8.368 -6.938 -1.097 59 3HD1 LEU 7 3HD1 LEU 7 9.296 -5.629 -1.831 60 1HD2 LEU 7 1HD2 LEU 7 5.317 -5.639 -1.707 61 2HD2 LEU 7 2HD2 LEU 7 6.358 -5.384 -3.107 62 3HD2 LEU 7 3HD2 LEU 7 5.754 -4.002 -2.193 63 H ASN 8 H ASN 8 8.701 -2.520 1.214 64 HA ASN 8 HA ASN 8 10.605 -1.469 0.538 65 1HB ASN 8 1HB ASN 8 11.906 -4.166 0.998 66 2HB ASN 8 2HB ASN 8 12.752 -2.630 0.821 67 1HD2 ASN 8 1HD2 ASN 8 13.347 -1.712 2.629 68 2HD2 ASN 8 2HD2 ASN 8 12.591 -1.914 4.181 69 H ASN 9 H ASN 9 8.881 -2.711 -1.413 70 HA ASN 9 HA ASN 9 8.773 -3.049 -3.652 71 1HB ASN 9 2HB ASN 9 11.633 -2.069 -3.583 72 2HB ASN 9 1HB ASN 9 10.678 -2.287 -5.046 73 1HD2 ASN 9 1HD2 ASN 9 8.546 -1.282 -2.745 74 2HD2 ASN 9 2HD2 ASN 9 8.603 0.418 -3.036 75 H ILE 10 H ILE 10 8.762 -4.881 -4.747 76 HA ILE 10 HA ILE 10 9.947 -7.230 -3.861 77 HB ILE 10 HB ILE 10 9.292 -8.196 -6.031 78 1HG1 ILE 10 2HG1 ILE 10 8.638 -5.317 -6.694 79 2HG1 ILE 10 1HG1 ILE 10 9.815 -6.347 -7.503 80 1HG2 ILE 10 1HG2 ILE 10 7.553 -8.286 -4.531 81 2HG2 ILE 10 2HG2 ILE 10 6.815 -7.357 -5.840 82 3HG2 ILE 10 3HG2 ILE 10 7.426 -6.530 -4.405 83 1HD1 ILE 10 1HD1 ILE 10 8.099 -6.504 -8.971 84 2HD1 ILE 10 2HD1 ILE 10 6.869 -6.286 -7.723 85 3HD1 ILE 10 3HD1 ILE 10 7.679 -7.844 -7.902 86 H ARG 11 H ARG 11 11.244 -4.796 -6.005 87 HA ARG 11 HA ARG 11 13.105 -6.263 -7.431 88 1HB ARG 11 2HB ARG 11 14.454 -4.128 -7.480 89 2HB ARG 11 1HB ARG 11 12.790 -3.998 -8.028 90 1HG ARG 11 2HG ARG 11 12.130 -2.999 -5.933 91 2HG ARG 11 1HG ARG 11 13.755 -3.230 -5.283 92 1HD ARG 11 2HD ARG 11 13.321 -0.919 -6.060 93 2HD ARG 11 1HD ARG 11 14.680 -1.695 -6.870 94 HE ARG 11 HE ARG 11 13.579 -1.353 -8.824 95 1HH1 ARG 11 1HH1 ARG 11 11.204 -1.536 -6.281 96 2HH1 ARG 11 2HH1 ARG 11 9.863 -1.254 -7.340 97 1HH2 ARG 11 1HH2 ARG 11 11.824 -0.980 -10.221 98 2HH2 ARG 11 2HH2 ARG 11 10.215 -0.937 -9.579 99 H THR 12 H THR 12 13.665 -4.628 -4.294 100 HA THR 12 HA THR 12 16.195 -6.034 -4.028 101 HB THR 12 HB THR 12 16.059 -3.662 -3.337 102 HG1 THR 12 1HG THR 12 17.169 -5.664 -2.039 103 1HG2 THR 12 1HG2 THR 12 13.703 -4.505 -2.046 104 2HG2 THR 12 2HG2 THR 12 14.417 -2.892 -2.050 105 3HG2 THR 12 3HG2 THR 12 14.834 -4.040 -0.777 106 H LEU 13 H LEU 13 12.952 -6.136 -2.745 107 HA LEU 13 HA LEU 13 13.424 -7.708 -0.476 108 1HB LEU 13 2HB LEU 13 11.339 -6.571 -0.717 109 2HB LEU 13 1HB LEU 13 10.991 -7.398 -2.220 110 HG LEU 13 HG LEU 13 9.730 -8.127 -0.095 111 1HD1 LEU 13 1HD1 LEU 13 11.136 -10.183 -1.798 112 2HD1 LEU 13 2HD1 LEU 13 9.628 -9.354 -2.193 113 3HD1 LEU 13 3HD1 LEU 13 9.693 -10.464 -0.824 114 1HD2 LEU 13 1HD2 LEU 13 11.906 -8.263 1.225 115 2HD2 LEU 13 2HD2 LEU 13 12.193 -9.783 0.374 116 3HD2 LEU 13 3HD2 LEU 13 10.769 -9.600 1.403 117 H ARG 14 H ARG 14 12.345 -8.725 -3.716 118 HA ARG 14 HA ARG 14 12.226 -11.441 -3.247 119 1HB ARG 14 2HB ARG 14 12.226 -11.756 -5.573 120 2HB ARG 14 1HB ARG 14 11.548 -10.149 -5.348 121 1HG ARG 14 2HG ARG 14 13.725 -9.165 -5.888 122 2HG ARG 14 1HG ARG 14 14.382 -10.783 -6.147 123 1HD ARG 14 2HD ARG 14 12.477 -11.071 -7.839 124 2HD ARG 14 1HD ARG 14 12.313 -9.317 -7.749 125 HE ARG 14 HE ARG 14 14.120 -9.173 -9.120 126 1HH1 ARG 14 1HH1 ARG 14 14.283 -12.203 -7.404 127 2HH1 ARG 14 2HH1 ARG 14 15.731 -12.724 -8.197 128 1HH2 ARG 14 1HH2 ARG 14 16.029 -9.854 -10.174 129 2HH2 ARG 14 2HH2 ARG 14 16.723 -11.389 -9.772 130 H ALA 15 H ALA 15 15.014 -9.418 -3.796 131 HA ALA 15 HA ALA 15 16.824 -11.640 -4.163 132 1HB ALA 15 1HB ALA 15 18.511 -10.037 -4.469 133 2HB ALA 15 2HB ALA 15 17.586 -8.793 -3.628 134 3HB ALA 15 3HB ALA 15 17.065 -9.357 -5.217 135 H GLN 16 H GLN 16 16.357 -9.153 -1.648 136 HA GLN 16 HA GLN 16 18.324 -10.136 0.107 137 1HB GLN 16 2HB GLN 16 17.209 -8.800 1.837 138 2HB GLN 16 1HB GLN 16 17.352 -7.889 0.340 139 1HG GLN 16 2HG GLN 16 15.024 -8.389 -0.189 140 2HG GLN 16 1HG GLN 16 14.878 -9.302 1.311 141 1HE2 GLN 16 2HE2 GLN 16 14.169 -6.457 -0.085 142 2HE2 GLN 16 1HE2 GLN 16 14.095 -5.434 1.315 143 H ALA 17 H ALA 17 15.021 -10.945 -0.438 144 HA ALA 17 HA ALA 17 14.849 -12.750 1.817 145 1HB ALA 17 1HB ALA 17 12.989 -11.567 -0.117 146 2HB ALA 17 2HB ALA 17 12.754 -11.980 1.584 147 3HB ALA 17 3HB ALA 17 12.621 -13.229 0.346 148 H ARG 18 H ARG 18 15.649 -12.785 -1.523 149 HA ARG 18 HA ARG 18 15.021 -15.323 -2.366 150 1HB ARG 18 1HB ARG 18 16.135 -13.590 -3.758 151 2HB ARG 18 2HB ARG 18 17.638 -13.906 -2.902 152 1HG ARG 18 2HG ARG 18 17.659 -15.035 -5.025 153 2HG ARG 18 1HG ARG 18 17.589 -16.226 -3.724 154 1HD ARG 18 2HD ARG 18 15.184 -16.463 -4.061 155 2HD ARG 18 1HD ARG 18 15.237 -15.255 -5.343 156 HE ARG 18 HE ARG 18 15.834 -16.927 -6.756 157 1HH1 ARG 18 1HH1 ARG 18 16.858 -17.821 -3.545 158 2HH1 ARG 18 2HH1 ARG 18 17.500 -19.352 -4.040 159 1HH2 ARG 18 1HH2 ARG 18 16.675 -18.941 -7.412 160 2HH2 ARG 18 2HH2 ARG 18 17.396 -19.988 -6.235 161 H GLU 19 H GLU 19 17.498 -14.338 -0.120 162 HA GLU 19 HA GLU 19 19.057 -16.664 -0.092 163 1HB GLU 19 1HB GLU 19 19.786 -15.961 2.140 164 2HB GLU 19 2HB GLU 19 19.758 -14.606 1.022 165 1HG GLU 19 1HG GLU 19 17.640 -13.858 1.965 166 2HG GLU 19 2HG GLU 19 17.645 -15.230 3.072 167 H SER 20 H SER 20 16.051 -15.878 1.569 168 HA SER 20 HA SER 20 16.041 -18.503 2.864 169 1HB SER 20 1HB SER 20 14.154 -16.156 3.190 170 2HB SER 20 2HB SER 20 14.116 -17.644 4.137 171 HG SER 20 HG SER 20 15.270 -15.779 5.069 172 H THR 21 H THR 21 12.956 -18.062 2.867 173 HA THR 21 HA THR 21 12.451 -19.174 0.184 174 HB THR 21 HB THR 21 10.901 -19.985 2.645 175 HG1 THR 21 1HG THR 21 12.497 -21.263 3.181 176 1HG2 THR 21 1HG2 THR 21 10.514 -22.033 1.193 177 2HG2 THR 21 2HG2 THR 21 11.223 -21.112 -0.133 178 3HG2 THR 21 3HG2 THR 21 9.746 -20.544 0.644 179 H LEU 22 H LEU 22 9.780 -19.193 0.019 180 HA LEU 22 HA LEU 22 9.096 -16.513 -0.288 181 1HB LEU 22 1HB LEU 22 7.537 -17.450 -1.550 182 2HB LEU 22 2HB LEU 22 7.973 -19.028 -0.923 183 HG LEU 22 HG LEU 22 6.102 -17.305 0.628 184 1HD1 LEU 22 1HD1 LEU 22 5.360 -18.985 -1.760 185 2HD1 LEU 22 2HD1 LEU 22 5.206 -17.232 -1.617 186 3HD1 LEU 22 3HD1 LEU 22 4.216 -18.292 -0.610 187 1HD2 LEU 22 1HD2 LEU 22 7.159 -19.661 1.225 188 2HD2 LEU 22 2HD2 LEU 22 5.780 -20.222 0.279 189 3HD2 LEU 22 3HD2 LEU 22 5.521 -19.210 1.700 190 H GLU 23 H GLU 23 9.124 -18.467 2.476 191 HA GLU 23 HA GLU 23 7.078 -17.656 4.082 192 1HB GLU 23 1HB GLU 23 8.838 -19.196 4.824 193 2HB GLU 23 2HB GLU 23 9.994 -17.873 4.868 194 1HG GLU 23 1HG GLU 23 8.699 -16.798 6.638 195 2HG GLU 23 2HG GLU 23 7.540 -18.126 6.593 196 H THR 24 H THR 24 9.698 -15.758 2.860 197 HA THR 24 HA THR 24 9.682 -13.589 4.617 198 HB THR 24 HB THR 24 11.424 -13.788 2.963 199 HG1 THR 24 1HG THR 24 10.858 -11.648 3.605 200 1HG2 THR 24 1HG2 THR 24 9.469 -14.564 1.233 201 2HG2 THR 24 2HG2 THR 24 11.107 -14.117 0.759 202 3HG2 THR 24 3HG2 THR 24 9.809 -12.927 0.668 203 H LEU 25 H LEU 25 7.660 -14.284 1.785 204 HA LEU 25 HA LEU 25 6.323 -11.790 1.875 205 1HB LEU 25 1HB LEU 25 4.602 -12.954 0.407 206 2HB LEU 25 2HB LEU 25 6.219 -12.745 -0.218 207 HG LEU 25 HG LEU 25 6.690 -15.124 0.300 208 1HD1 LEU 25 1HD2 LEU 25 4.211 -14.937 1.710 209 2HD1 LEU 25 2HD2 LEU 25 5.365 -16.279 1.640 210 3HD1 LEU 25 3HD2 LEU 25 4.075 -16.152 0.437 211 1HD2 LEU 25 1HD1 LEU 25 4.852 -14.063 -1.677 212 2HD2 LEU 25 2HD1 LEU 25 4.606 -15.784 -1.377 213 3HD2 LEU 25 3HD1 LEU 25 6.194 -15.191 -1.866 214 H GLU 26 H GLU 26 5.434 -15.027 3.145 215 HA GLU 26 HA GLU 26 2.894 -14.262 4.023 216 1HB GLU 26 1HB GLU 26 2.982 -16.101 5.605 217 2HB GLU 26 2HB GLU 26 3.662 -16.611 4.069 218 1HG GLU 26 2HG GLU 26 5.900 -16.389 4.951 219 2HG GLU 26 1HG GLU 26 5.261 -15.782 6.478 220 H GLU 27 H GLU 27 6.039 -13.426 5.051 221 HA GLU 27 HA GLU 27 5.216 -12.422 7.644 222 1HB GLU 27 2HB GLU 27 7.470 -13.337 7.364 223 2HB GLU 27 1HB GLU 27 7.821 -12.133 6.132 224 1HG GLU 27 2HG GLU 27 8.848 -11.477 8.191 225 2HG GLU 27 1HG GLU 27 7.533 -10.363 7.823 226 H MET 28 H MET 28 6.511 -10.978 4.644 227 HA MET 28 HA MET 28 5.638 -8.341 5.486 228 1HB MET 28 2HB MET 28 7.067 -9.221 2.977 229 2HB MET 28 1HB MET 28 6.766 -7.554 3.445 230 1HG MET 28 2HG MET 28 8.154 -7.858 5.428 231 2HG MET 28 1HG MET 28 8.460 -9.528 4.953 232 1HE MET 28 1HE MET 28 11.114 -7.138 5.244 233 2HE MET 28 2HE MET 28 11.896 -8.369 4.253 234 3HE MET 28 3HE MET 28 10.749 -8.843 5.505 235 H LEU 29 H LEU 29 5.035 -10.561 2.796 236 HA LEU 29 HA LEU 29 3.226 -9.018 1.341 237 1HB LEU 29 2HB LEU 29 4.206 -11.027 0.454 238 2HB LEU 29 1HB LEU 29 3.423 -12.017 1.660 239 HG LEU 29 HG LEU 29 1.237 -11.546 0.630 240 1HD1 LEU 29 1HD2 LEU 29 2.910 -9.792 -1.125 241 2HD1 LEU 29 2HD2 LEU 29 1.443 -9.389 -0.237 242 3HD1 LEU 29 3HD2 LEU 29 1.355 -10.425 -1.663 243 1HD2 LEU 29 1HD1 LEU 29 3.436 -12.559 -1.159 244 2HD2 LEU 29 2HD1 LEU 29 1.733 -12.623 -1.614 245 3HD2 LEU 29 3HD1 LEU 29 2.298 -13.494 -0.186 246 H GLU 30 H GLU 30 2.722 -10.974 4.212 247 HA GLU 30 HA GLU 30 -0.117 -10.926 4.171 248 1HB GLU 30 2HB GLU 30 1.016 -12.532 5.566 249 2HB GLU 30 1HB GLU 30 1.837 -11.255 6.450 250 1HG GLU 30 2HG GLU 30 -0.022 -12.248 7.709 251 2HG GLU 30 1HG GLU 30 -0.233 -10.522 7.424 252 H LYS 31 H LYS 31 2.350 -8.775 5.427 253 HA LYS 31 HA LYS 31 0.506 -7.065 6.810 254 1HB LYS 31 1HB LYS 31 3.257 -6.270 5.885 255 2HB LYS 31 2HB LYS 31 2.381 -5.729 7.314 256 1HG LYS 31 1HG LYS 31 3.467 -8.493 6.855 257 2HG LYS 31 2HG LYS 31 4.193 -7.258 7.890 258 1HD LYS 31 2HD LYS 31 2.373 -7.337 9.408 259 2HD LYS 31 1HD LYS 31 1.387 -8.275 8.284 260 1HE LYS 31 1HE LYS 31 2.881 -10.174 8.517 261 2HE LYS 31 2HE LYS 31 3.928 -9.241 9.590 262 1HZ LYS 31 1HZ LYS 31 2.210 -9.150 11.222 263 2HZ LYS 31 2HZ LYS 31 2.388 -10.766 10.756 264 3HZ LYS 31 3HZ LYS 31 1.085 -9.858 10.175 265 H LEU 32 H LEU 32 1.751 -7.479 3.677 266 HA LEU 32 HA LEU 32 1.140 -4.900 2.634 267 1HB LEU 32 1HB LEU 32 2.778 -6.620 1.731 268 2HB LEU 32 2HB LEU 32 1.378 -7.462 1.089 269 HG LEU 32 HG LEU 32 0.776 -5.504 -0.240 270 1HD1 LEU 32 1HD2 LEU 32 2.980 -3.892 -0.306 271 2HD1 LEU 32 2HD2 LEU 32 2.835 -4.260 1.413 272 3HD1 LEU 32 3HD2 LEU 32 1.479 -3.535 0.548 273 1HD2 LEU 32 1HD1 LEU 32 2.398 -5.769 -1.903 274 2HD2 LEU 32 2HD1 LEU 32 2.391 -7.296 -1.019 275 3HD2 LEU 32 3HD1 LEU 32 3.667 -6.115 -0.728 276 H GLU 33 H GLU 33 -0.563 -7.890 3.118 277 HA GLU 33 HA GLU 33 -2.785 -7.045 1.447 278 1HB GLU 33 2HB GLU 33 -3.750 -9.151 1.801 279 2HB GLU 33 1HB GLU 33 -2.026 -9.469 1.716 280 1HG GLU 33 2HG GLU 33 -2.620 -10.775 3.494 281 2HG GLU 33 1HG GLU 33 -2.163 -9.288 4.320 282 H VAL 34 H VAL 34 -1.885 -7.125 4.836 283 HA VAL 34 HA VAL 34 -4.492 -6.461 5.809 284 HB VAL 34 HB VAL 34 -3.501 -6.024 7.946 285 1HG1 VAL 34 1HG1 VAL 34 -3.741 -8.305 7.728 286 2HG1 VAL 34 2HG1 VAL 34 -2.040 -8.154 8.169 287 3HG1 VAL 34 3HG1 VAL 34 -2.493 -8.425 6.486 288 1HG2 VAL 34 1HG2 VAL 34 -1.210 -5.304 6.426 289 2HG2 VAL 34 2HG2 VAL 34 -0.754 -6.559 7.577 290 3HG2 VAL 34 3HG2 VAL 34 -1.516 -5.074 8.147 291 H VAL 35 H VAL 35 -1.578 -4.611 4.954 292 HA VAL 35 HA VAL 35 -2.346 -2.099 5.866 293 HB VAL 35 HB VAL 35 -1.064 -1.134 3.927 294 1HG1 VAL 35 1HG2 VAL 35 0.547 -1.256 5.431 295 2HG1 VAL 35 2HG2 VAL 35 1.052 -2.752 4.641 296 3HG1 VAL 35 3HG2 VAL 35 -0.031 -2.809 6.037 297 1HG2 VAL 35 1HG1 VAL 35 -0.791 -4.030 3.199 298 2HG2 VAL 35 2HG1 VAL 35 0.293 -2.773 2.601 299 3HG2 VAL 35 3HG1 VAL 35 -1.428 -2.712 2.216 300 H VAL 36 H VAL 36 -3.001 -3.671 2.760 301 HA VAL 36 HA VAL 36 -4.825 -1.552 2.037 302 HB VAL 36 HB VAL 36 -3.321 -2.732 0.383 303 1HG1 VAL 36 1HG1 VAL 36 -4.816 -4.987 1.238 304 2HG1 VAL 36 2HG1 VAL 36 -3.451 -4.911 0.125 305 3HG1 VAL 36 3HG1 VAL 36 -5.094 -4.719 -0.483 306 1HG2 VAL 36 1HG2 VAL 36 -5.466 -2.860 -1.245 307 2HG2 VAL 36 2HG2 VAL 36 -4.658 -1.368 -0.759 308 3HG2 VAL 36 3HG2 VAL 36 -6.106 -1.903 0.096 309 H ASN 37 H ASN 37 -4.998 -4.552 3.670 310 HA ASN 37 HA ASN 37 -7.598 -5.377 3.010 311 1HB ASN 37 1HB ASN 37 -6.217 -6.820 4.358 312 2HB ASN 37 2HB ASN 37 -6.050 -5.584 5.602 313 1HD2 ASN 37 1HD2 ASN 37 -7.113 -6.079 7.340 314 2HD2 ASN 37 2HD2 ASN 37 -8.667 -6.851 7.414 315 H GLU 38 H GLU 38 -6.397 -2.972 5.258 316 HA GLU 38 HA GLU 38 -8.995 -2.292 6.288 317 1HB GLU 38 1HB GLU 38 -6.370 -0.794 6.446 318 2HB GLU 38 2HB GLU 38 -7.823 -0.402 7.357 319 1HG GLU 38 1HG GLU 38 -7.701 -2.570 8.482 320 2HG GLU 38 2HG GLU 38 -6.235 -2.950 7.577 321 H ARG 39 H ARG 39 -6.762 -1.024 3.889 322 HA ARG 39 HA ARG 39 -8.253 1.304 3.224 323 1HB ARG 39 1HB ARG 39 -6.083 -0.263 1.852 324 2HB ARG 39 2HB ARG 39 -6.856 1.101 1.067 325 1HG ARG 39 1HG ARG 39 -4.699 1.628 2.157 326 2HG ARG 39 2HG ARG 39 -6.054 2.615 2.696 327 1HD ARG 39 1HD ARG 39 -5.313 0.150 4.197 328 2HD ARG 39 2HD ARG 39 -4.382 1.629 4.429 329 HE ARG 39 HE ARG 39 -6.907 1.050 5.537 330 1HH1 ARG 39 1HH1 ARG 39 -5.148 3.640 4.023 331 2HH1 ARG 39 2HH1 ARG 39 -6.028 4.892 4.838 332 1HH2 ARG 39 1HH2 ARG 39 -8.080 2.688 6.615 333 2HH2 ARG 39 2HH2 ARG 39 -7.696 4.349 6.312 334 H ARG 40 H ARG 40 -7.860 -1.803 1.599 335 HA ARG 40 HA ARG 40 -9.485 -1.535 -0.565 336 1HB ARG 40 2HB ARG 40 -8.715 -3.830 1.157 337 2HB ARG 40 1HB ARG 40 -10.094 -4.085 0.096 338 1HG ARG 40 1HG ARG 40 -7.307 -3.303 -0.715 339 2HG ARG 40 2HG ARG 40 -8.085 -4.872 -0.959 340 1HD ARG 40 1HD ARG 40 -8.903 -2.237 -2.191 341 2HD ARG 40 2HD ARG 40 -8.112 -3.577 -3.016 342 HE ARG 40 HE ARG 40 -10.451 -4.573 -1.907 343 1HH1 ARG 40 1HH1 ARG 40 -9.516 -2.209 -4.290 344 2HH1 ARG 40 2HH1 ARG 40 -10.951 -2.409 -5.240 345 1HH2 ARG 40 1HH2 ARG 40 -12.343 -4.844 -3.152 346 2HH2 ARG 40 2HH2 ARG 40 -12.556 -3.906 -4.592 347 H GLU 41 H GLU 41 -10.471 -2.283 2.752 348 HA GLU 41 HA GLU 41 -13.265 -2.421 2.027 349 1HB GLU 41 2HB GLU 41 -11.929 -2.459 4.733 350 2HB GLU 41 1HB GLU 41 -13.634 -2.770 4.441 351 1HG GLU 41 2HG GLU 41 -13.049 -4.717 3.087 352 2HG GLU 41 1HG GLU 41 -11.339 -4.406 3.383 353 H GLU 42 H GLU 42 -11.214 -0.090 3.785 354 HA GLU 42 HA GLU 42 -13.472 1.631 4.327 355 1HB GLU 42 1HB GLU 42 -11.661 1.416 5.960 356 2HB GLU 42 2HB GLU 42 -10.518 2.063 4.791 357 1HG GLU 42 2HG GLU 42 -11.124 3.771 6.367 358 2HG GLU 42 1HG GLU 42 -11.762 4.182 4.776 359 H GLU 43 H GLU 43 -10.593 1.773 2.292 360 HA GLU 43 HA GLU 43 -10.884 4.327 1.263 361 1HB GLU 43 2HB GLU 43 -9.031 2.494 0.915 362 2HB GLU 43 1HB GLU 43 -9.963 2.127 -0.530 363 1HG GLU 43 2HG GLU 43 -8.663 4.742 0.182 364 2HG GLU 43 1HG GLU 43 -8.203 3.633 -1.107 365 H SER 44 H SER 44 -12.139 1.253 -0.029 366 HA SER 44 HA SER 44 -13.485 2.321 -2.244 367 1HB SER 44 1HB SER 44 -14.220 -0.091 -0.556 368 2HB SER 44 2HB SER 44 -14.865 0.261 -2.159 369 HG SER 44 HG SER 44 -13.171 -0.697 -2.919 370 H ALA 45 H ALA 45 -14.305 2.019 1.123 371 HA ALA 45 HA ALA 45 -17.025 2.749 1.000 372 1HB ALA 45 1HB ALA 45 -16.240 3.601 3.456 373 2HB ALA 45 2HB ALA 45 -14.950 2.457 3.068 374 3HB ALA 45 3HB ALA 45 -16.636 1.926 3.064 375 H ALA 46 H ALA 46 -14.034 4.593 1.347 376 HA ALA 46 HA ALA 46 -15.203 7.128 1.785 377 1HB ALA 46 1HB ALA 46 -12.509 6.372 0.643 378 2HB ALA 46 2HB ALA 46 -12.883 6.728 2.330 379 3HB ALA 46 3HB ALA 46 -12.976 8.005 1.117 380 H ALA 47 H ALA 47 -14.185 5.413 -1.135 381 HA ALA 47 HA ALA 47 -14.583 7.507 -2.968 382 1HB ALA 47 1HB ALA 47 -14.727 5.699 -4.667 383 2HB ALA 47 2HB ALA 47 -14.733 4.520 -3.357 384 3HB ALA 47 3HB ALA 47 -13.328 5.558 -3.604 385 H ALA 48 H ALA 48 -16.749 4.953 -1.813 386 HA ALA 48 HA ALA 48 -18.952 5.780 -3.447 387 1HB ALA 48 1HB ALA 48 -18.381 3.493 -2.143 388 2HB ALA 48 2HB ALA 48 -20.002 3.935 -2.679 389 3HB ALA 48 3HB ALA 48 -19.517 4.224 -1.009 390 H GLU 49 H GLU 49 -17.874 6.413 -0.180 391 HA GLU 49 HA GLU 49 -20.200 7.627 0.818 392 1HB GLU 49 1HB GLU 49 -18.456 6.885 2.307 393 2HB GLU 49 2HB GLU 49 -17.297 7.981 1.568 394 1HG GLU 49 2HG GLU 49 -18.522 9.887 2.415 395 2HG GLU 49 1HG GLU 49 -19.742 8.820 3.107 396 H VAL 50 H VAL 50 -17.312 9.058 -0.697 397 HA VAL 50 HA VAL 50 -18.148 11.732 -0.445 398 HB VAL 50 HB VAL 50 -15.827 11.199 -0.894 399 1HG1 VAL 50 1HG1 VAL 50 -15.053 10.363 -3.015 400 2HG1 VAL 50 2HG1 VAL 50 -16.698 10.342 -3.649 401 3HG1 VAL 50 3HG1 VAL 50 -16.240 9.242 -2.349 402 1HG2 VAL 50 1HG2 VAL 50 -16.469 12.629 -3.388 403 2HG2 VAL 50 2HG2 VAL 50 -15.429 13.097 -2.042 404 3HG2 VAL 50 3HG2 VAL 50 -17.177 13.295 -1.916 405 H GLU 51 H GLU 51 -18.438 9.471 -3.188 406 HA GLU 51 HA GLU 51 -19.894 11.385 -4.765 407 1HB GLU 51 1HB GLU 51 -18.473 9.716 -5.842 408 2HB GLU 51 2HB GLU 51 -19.466 8.424 -5.180 409 1HG GLU 51 2HG GLU 51 -19.992 8.807 -7.510 410 2HG GLU 51 1HG GLU 51 -21.369 9.210 -6.484 411 H GLU 52 H GLU 52 -21.985 11.767 -4.739 412 HA GLU 52 HA GLU 52 -24.038 9.917 -4.539 413 1HB GLU 52 2HB GLU 52 -23.279 9.606 -2.214 414 2HB GLU 52 1HB GLU 52 -23.488 11.325 -1.916 415 1HG GLU 52 2HG GLU 52 -25.881 11.117 -2.305 416 2HG GLU 52 1HG GLU 52 -25.683 9.397 -2.641 417 H ARG 53 H ARG 53 -25.809 10.885 -5.335 418 HA ARG 53 HA ARG 53 -25.747 13.709 -5.848 419 1HB ARG 53 2HB ARG 53 -27.933 11.685 -6.373 420 2HB ARG 53 1HB ARG 53 -27.875 13.319 -7.017 421 1HG ARG 53 2HG ARG 53 -25.831 12.767 -8.239 422 2HG ARG 53 1HG ARG 53 -25.893 11.125 -7.594 423 1HD ARG 53 2HD ARG 53 -26.789 11.186 -9.850 424 2HD ARG 53 1HD ARG 53 -28.055 10.781 -8.692 425 HE ARG 53 HE ARG 53 -28.095 13.545 -9.087 426 1HH1 ARG 53 1HH1 ARG 53 -28.708 10.614 -10.870 427 2HH1 ARG 53 2HH1 ARG 53 -29.882 11.344 -11.915 428 1HH2 ARG 53 1HH2 ARG 53 -29.638 14.513 -10.458 429 2HH2 ARG 53 2HH2 ARG 53 -30.409 13.559 -11.681 430 H THR 54 H THR 54 -25.727 13.211 -3.105 431 HA THR 54 HA THR 54 -28.295 13.369 -1.920 432 HB THR 54 HB THR 54 -26.378 12.637 -0.614 433 HG1 THR 54 1HG THR 54 -27.964 13.529 0.654 434 1HG2 THR 54 1HG2 THR 54 -24.661 14.239 0.120 435 2HG2 THR 54 2HG2 THR 54 -25.369 15.465 -0.930 436 3HG2 THR 54 3HG2 THR 54 -24.646 14.018 -1.629 437 H ARG 55 H ARG 55 -26.047 15.793 -3.092 438 HA ARG 55 HA ARG 55 -26.320 18.010 -3.555 439 1HB ARG 55 2HB ARG 55 -29.211 17.734 -2.739 440 2HB ARG 55 1HB ARG 55 -28.505 18.916 -3.833 441 1HG ARG 55 2HG ARG 55 -28.113 17.233 -5.495 442 2HG ARG 55 1HG ARG 55 -28.630 15.961 -4.384 443 1HD ARG 55 1HD ARG 55 -30.319 18.153 -5.573 444 2HD ARG 55 2HD ARG 55 -30.427 16.421 -5.888 445 HE ARG 55 HE ARG 55 -30.803 16.805 -3.157 446 1HH1 ARG 55 1HH1 ARG 55 -32.397 17.586 -6.157 447 2HH1 ARG 55 2HH1 ARG 55 -33.984 17.587 -5.462 448 1HH2 ARG 55 1HH2 ARG 55 -32.889 16.805 -2.235 449 2HH2 ARG 55 2HH2 ARG 55 -34.264 17.145 -3.233 450 H LYS 56 H LYS 56 -25.836 19.781 -2.377 451 HA LYS 56 HA LYS 56 -25.940 19.575 0.494 452 1HB LYS 56 1HB LYS 56 -24.935 21.803 -1.284 453 2HB LYS 56 2HB LYS 56 -24.716 21.722 0.460 454 1HG LYS 56 1HG LYS 56 -23.425 19.648 0.180 455 2HG LYS 56 2HG LYS 56 -23.604 19.794 -1.569 456 1HD LYS 56 1HD LYS 56 -21.439 20.642 -0.876 457 2HD LYS 56 2HD LYS 56 -22.441 21.959 -1.491 458 1HE LYS 56 1HE LYS 56 -21.244 22.623 0.533 459 2HE LYS 56 2HE LYS 56 -22.989 22.626 0.786 460 1HZ LYS 56 1HZ LYS 56 -21.023 21.217 2.208 461 2HZ LYS 56 2HZ LYS 56 -22.040 20.092 1.458 462 3HZ LYS 56 3HZ LYS 56 -22.692 21.265 2.486 463 H LEU 57 H LEU 57 -28.517 19.604 -0.411 464 HA LEU 57 HA LEU 57 -30.534 20.622 -0.219 465 1HB LEU 57 1HB LEU 57 -28.949 22.045 1.901 466 2HB LEU 57 2HB LEU 57 -30.670 22.290 1.689 467 HG LEU 57 HG LEU 57 -31.007 19.847 2.108 468 1HD1 LEU 57 1HD2 LEU 57 -29.280 18.459 2.096 469 2HD1 LEU 57 2HD2 LEU 57 -28.601 19.297 3.493 470 3HD1 LEU 57 3HD2 LEU 57 -28.175 19.814 1.861 471 1HD2 LEU 57 1HD1 LEU 57 -30.869 20.025 4.460 472 2HD2 LEU 57 2HD1 LEU 57 -31.157 21.659 3.862 473 3HD2 LEU 57 3HD1 LEU 57 -29.538 21.178 4.368 474 H SER 1 1HT SER 1 -11.949 -7.213 1.115 475 HA SER 1 HA SER 1 -11.814 -9.262 0.272 476 1HB SER 1 1HB SER 1 -13.953 -8.390 -0.552 477 2HB SER 1 2HB SER 1 -13.163 -7.791 -2.010 478 HG SER 1 HG SER 1 -13.240 -10.517 -1.228 479 H GLU 2 H GLU 2 -10.851 -6.993 -2.291 480 HA GLU 2 HA GLU 2 -9.375 -8.949 -3.753 481 1HB GLU 2 1HB GLU 2 -9.345 -5.932 -3.896 482 2HB GLU 2 2HB GLU 2 -8.503 -6.992 -5.021 483 1HG GLU 2 2HG GLU 2 -10.672 -8.015 -5.599 484 2HG GLU 2 1HG GLU 2 -11.464 -6.824 -4.569 485 H ALA 3 H ALA 3 -8.761 -7.197 -0.957 486 HA ALA 3 HA ALA 3 -5.908 -6.917 -1.218 487 1HB ALA 3 1HB ALA 3 -6.054 -6.538 1.286 488 2HB ALA 3 2HB ALA 3 -7.797 -6.736 1.125 489 3HB ALA 3 3HB ALA 3 -6.979 -5.418 0.286 490 H LEU 4 H LEU 4 -8.152 -9.176 -0.038 491 HA LEU 4 HA LEU 4 -6.272 -10.924 1.239 492 1HB LEU 4 2HB LEU 4 -9.103 -11.599 0.617 493 2HB LEU 4 1HB LEU 4 -8.173 -11.961 2.062 494 HG LEU 4 HG LEU 4 -9.424 -9.330 1.271 495 1HD1 LEU 4 1HD1 LEU 4 -10.782 -11.191 2.337 496 2HD1 LEU 4 2HD1 LEU 4 -10.843 -9.594 3.087 497 3HD1 LEU 4 3HD1 LEU 4 -9.848 -10.865 3.798 498 1HD2 LEU 4 1HD2 LEU 4 -8.436 -9.042 3.841 499 2HD2 LEU 4 2HD2 LEU 4 -7.816 -8.280 2.373 500 3HD2 LEU 4 3HD2 LEU 4 -7.119 -9.798 2.945 501 H LYS 5 H LYS 5 -8.448 -10.964 -1.540 502 HA LYS 5 HA LYS 5 -7.653 -13.507 -2.508 503 1HB LYS 5 1HB LYS 5 -9.855 -12.587 -2.989 504 2HB LYS 5 2HB LYS 5 -9.122 -11.273 -3.900 505 1HG LYS 5 1HG LYS 5 -10.058 -13.140 -5.269 506 2HG LYS 5 2HG LYS 5 -8.367 -12.749 -5.593 507 1HD LYS 5 1HD LYS 5 -7.674 -14.607 -4.157 508 2HD LYS 5 2HD LYS 5 -9.367 -15.002 -3.854 509 1HE LYS 5 2HE LYS 5 -7.986 -15.056 -6.535 510 2HE LYS 5 1HE LYS 5 -8.419 -16.463 -5.565 511 1HZ LYS 5 1HZ LYS 5 -9.995 -15.910 -7.401 512 2HZ LYS 5 2HZ LYS 5 -10.410 -14.504 -6.560 513 3HZ LYS 5 3HZ LYS 5 -10.710 -16.020 -5.872 514 H ILE 6 H ILE 6 -6.495 -10.253 -3.058 515 HA ILE 6 HA ILE 6 -5.189 -10.544 -5.491 516 HB ILE 6 HB ILE 6 -5.355 -8.389 -4.295 517 1HG1 ILE 6 1HG1 ILE 6 -3.502 -9.007 -5.973 518 2HG1 ILE 6 2HG1 ILE 6 -3.309 -7.523 -5.050 519 1HG2 ILE 6 1HG2 ILE 6 -3.234 -9.456 -2.437 520 2HG2 ILE 6 2HG2 ILE 6 -4.941 -9.281 -2.028 521 3HG2 ILE 6 3HG2 ILE 6 -3.975 -7.855 -2.402 522 1HD1 ILE 6 1HD1 ILE 6 -1.360 -8.244 -4.278 523 2HD1 ILE 6 2HD1 ILE 6 -1.514 -9.664 -5.312 524 3HD1 ILE 6 3HD1 ILE 6 -2.105 -9.714 -3.652 525 H LEU 7 H LEU 7 -4.132 -11.120 -2.249 526 HA LEU 7 HA LEU 7 -1.730 -12.495 -3.086 527 1HB LEU 7 2HB LEU 7 -1.051 -11.396 -1.244 528 2HB LEU 7 1HB LEU 7 -2.696 -11.103 -0.721 529 HG LEU 7 HG LEU 7 -2.645 -13.550 0.105 530 1HD1 LEU 7 1HD1 LEU 7 0.101 -13.163 -0.795 531 2HD1 LEU 7 2HD1 LEU 7 -0.791 -14.649 -0.467 532 3HD1 LEU 7 3HD1 LEU 7 -0.031 -13.764 0.858 533 1HD2 LEU 7 1HD2 LEU 7 -0.888 -11.568 1.528 534 2HD2 LEU 7 2HD2 LEU 7 -1.871 -12.851 2.235 535 3HD2 LEU 7 3HD2 LEU 7 -2.652 -11.460 1.478 536 H ASN 8 H ASN 8 -4.951 -13.066 -2.276 537 HA ASN 8 HA ASN 8 -6.199 -14.948 -1.938 538 1HB ASN 8 2HB ASN 8 -4.922 -15.708 -3.978 539 2HB ASN 8 1HB ASN 8 -3.757 -16.468 -2.896 540 1HD2 ASN 8 1HD2 ASN 8 -6.760 -16.640 -1.490 541 2HD2 ASN 8 2HD2 ASN 8 -7.211 -18.232 -2.016 542 H ASN 9 H ASN 9 -4.492 -13.805 0.091 543 HA ASN 9 HA ASN 9 -3.886 -14.136 2.246 544 1HB ASN 9 2HB ASN 9 -5.321 -16.778 1.899 545 2HB ASN 9 1HB ASN 9 -4.826 -16.079 3.439 546 1HD2 ASN 9 1HD2 ASN 9 -5.716 -13.528 1.534 547 2HD2 ASN 9 2HD2 ASN 9 -7.367 -13.392 2.016 548 H ILE 10 H ILE 10 -1.915 -14.530 2.971 549 HA ILE 10 HA ILE 10 0.043 -15.914 1.606 550 HB ILE 10 HB ILE 10 1.392 -15.817 3.633 551 1HG1 ILE 10 2HG1 ILE 10 -1.207 -15.019 4.960 552 2HG1 ILE 10 1HG1 ILE 10 -0.271 -16.479 5.272 553 1HG2 ILE 10 1HG2 ILE 10 1.146 -13.349 4.083 554 2HG2 ILE 10 2HG2 ILE 10 -0.269 -13.381 3.028 555 3HG2 ILE 10 3HG2 ILE 10 1.319 -13.804 2.387 556 1HD1 ILE 10 1HD1 ILE 10 0.058 -13.781 6.301 557 2HD1 ILE 10 2HD1 ILE 10 1.559 -14.520 5.741 558 3HD1 ILE 10 3HD1 ILE 10 0.582 -15.328 6.970 559 H ARG 11 H ARG 11 -2.303 -17.146 3.881 560 HA ARG 11 HA ARG 11 -1.048 -19.527 4.633 561 1HB ARG 11 1HB ARG 11 -3.340 -20.355 5.100 562 2HB ARG 11 2HB ARG 11 -3.038 -18.756 5.763 563 1HG ARG 11 2HG ARG 11 -4.193 -17.792 3.775 564 2HG ARG 11 1HG ARG 11 -4.626 -19.436 3.302 565 1HD ARG 11 2HD ARG 11 -5.394 -18.050 5.867 566 2HD ARG 11 1HD ARG 11 -6.458 -18.386 4.501 567 HE ARG 11 HE ARG 11 -5.358 -20.805 5.360 568 1HH1 ARG 11 1HH1 ARG 11 -7.529 -18.332 6.506 569 2HH1 ARG 11 2HH1 ARG 11 -8.441 -19.413 7.503 570 1HH2 ARG 11 1HH2 ARG 11 -6.554 -22.237 6.674 571 2HH2 ARG 11 2HH2 ARG 11 -7.887 -21.633 7.599 572 H THR 12 H THR 12 -3.317 -18.935 1.949 573 HA THR 12 HA THR 12 -2.928 -21.586 0.878 574 HB THR 12 HB THR 12 -4.370 -19.195 -0.287 575 HG1 THR 12 1HG THR 12 -5.446 -21.542 0.913 576 1HG2 THR 12 1HG2 THR 12 -3.656 -20.769 -2.025 577 2HG2 THR 12 2HG2 THR 12 -5.408 -20.800 -1.814 578 3HG2 THR 12 3HG2 THR 12 -4.415 -22.092 -1.139 579 H LEU 13 H LEU 13 -1.851 -18.323 0.189 580 HA LEU 13 HA LEU 13 -0.659 -18.782 -2.301 581 1HB LEU 13 1HB LEU 13 -1.119 -16.552 -1.581 582 2HB LEU 13 2HB LEU 13 -0.120 -16.741 -0.157 583 HG LEU 13 HG LEU 13 0.766 -15.342 -2.142 584 1HD1 LEU 13 1HD1 LEU 13 2.264 -17.402 -0.579 585 2HD1 LEU 13 2HD1 LEU 13 2.248 -15.644 -0.400 586 3HD1 LEU 13 3HD1 LEU 13 3.104 -16.387 -1.751 587 1HD2 LEU 13 1HD2 LEU 13 1.631 -18.044 -3.136 588 2HD2 LEU 13 2HD2 LEU 13 1.840 -16.471 -3.909 589 3HD2 LEU 13 3HD2 LEU 13 0.234 -17.187 -3.793 590 H ARG 14 H ARG 14 0.782 -18.793 0.947 591 HA ARG 14 HA ARG 14 3.403 -19.299 0.288 592 1HB ARG 14 1HB ARG 14 2.889 -18.806 2.531 593 2HB ARG 14 2HB ARG 14 1.708 -20.102 2.635 594 1HG ARG 14 1HG ARG 14 3.540 -21.742 2.489 595 2HG ARG 14 2HG ARG 14 4.696 -20.407 2.492 596 1HD ARG 14 2HD ARG 14 3.963 -19.703 4.663 597 2HD ARG 14 1HD ARG 14 2.651 -20.879 4.648 598 HE ARG 14 HE ARG 14 4.133 -22.370 5.506 599 1HH1 ARG 14 1HH1 ARG 14 5.930 -20.058 3.615 600 2HH1 ARG 14 2HH1 ARG 14 7.463 -20.790 3.943 601 1HH2 ARG 14 1HH2 ARG 14 6.146 -23.336 5.943 602 2HH2 ARG 14 2HH2 ARG 14 7.587 -22.653 5.266 603 H ALA 15 H ALA 15 0.696 -21.521 0.419 604 HA ALA 15 HA ALA 15 2.353 -23.863 0.101 605 1HB ALA 15 1HB ALA 15 0.213 -23.849 1.366 606 2HB ALA 15 2HB ALA 15 0.323 -25.105 0.133 607 3HB ALA 15 3HB ALA 15 -0.629 -23.653 -0.170 608 H GLN 16 H GLN 16 -0.041 -22.169 -1.929 609 HA GLN 16 HA GLN 16 0.269 -23.850 -4.173 610 1HB GLN 16 2HB GLN 16 -0.845 -22.073 -5.443 611 2HB GLN 16 1HB GLN 16 -1.657 -22.347 -3.906 612 1HG GLN 16 1HG GLN 16 -0.538 -20.399 -2.962 613 2HG GLN 16 2HG GLN 16 0.282 -20.124 -4.498 614 1HE2 GLN 16 2HE2 GLN 16 -2.153 -19.070 -2.650 615 2HE2 GLN 16 1HE2 GLN 16 -3.221 -18.441 -3.865 616 H ALA 17 H ALA 17 1.956 -21.072 -3.032 617 HA ALA 17 HA ALA 17 3.564 -20.780 -5.420 618 1HB ALA 17 1HB ALA 17 3.266 -18.702 -4.558 619 2HB ALA 17 2HB ALA 17 4.755 -19.132 -3.716 620 3HB ALA 17 3HB ALA 17 3.200 -19.281 -2.894 621 H ARG 18 H ARG 18 3.662 -22.390 -2.382 622 HA ARG 18 HA ARG 18 6.347 -22.597 -1.816 623 1HB ARG 18 1HB ARG 18 4.495 -23.602 -0.470 624 2HB ARG 18 2HB ARG 18 4.375 -24.885 -1.665 625 1HG ARG 18 2HG ARG 18 5.640 -25.688 0.194 626 2HG ARG 18 1HG ARG 18 6.732 -25.488 -1.178 627 1HD ARG 18 2HD ARG 18 7.443 -23.314 -0.267 628 2HD ARG 18 1HD ARG 18 6.392 -23.571 1.125 629 HE ARG 18 HE ARG 18 8.167 -25.745 0.843 630 1HH1 ARG 18 1HH1 ARG 18 8.084 -22.403 1.814 631 2HH1 ARG 18 2HH1 ARG 18 9.442 -22.545 2.878 632 1HH2 ARG 18 1HH2 ARG 18 9.954 -25.944 2.244 633 2HH2 ARG 18 2HH2 ARG 18 10.506 -24.557 3.123 634 H GLU 19 H GLU 19 4.551 -24.051 -4.400 635 HA GLU 19 HA GLU 19 6.311 -26.086 -5.168 636 1HB GLU 19 2HB GLU 19 4.541 -24.369 -6.918 637 2HB GLU 19 1HB GLU 19 5.272 -25.894 -7.397 638 1HG GLU 19 2HG GLU 19 3.297 -25.557 -5.152 639 2HG GLU 19 1HG GLU 19 2.902 -26.105 -6.780 640 H SER 20 H SER 20 6.289 -22.642 -5.941 641 HA SER 20 HA SER 20 8.764 -22.969 -7.482 642 1HB SER 20 1HB SER 20 6.928 -20.571 -7.246 643 2HB SER 20 2HB SER 20 8.341 -20.686 -8.297 644 HG SER 20 HG SER 20 5.909 -21.381 -8.892 645 H THR 21 H THR 21 9.100 -19.938 -6.884 646 HA THR 21 HA THR 21 10.452 -20.280 -4.286 647 HB THR 21 HB THR 21 11.380 -18.304 -6.354 648 HG1 THR 21 1HG THR 21 11.622 -21.076 -6.404 649 1HG2 THR 21 1HG2 THR 21 13.600 -19.099 -5.164 650 2HG2 THR 21 2HG2 THR 21 12.479 -19.580 -3.889 651 3HG2 THR 21 3HG2 THR 21 12.551 -17.897 -4.412 652 H LEU 22 H LEU 22 11.158 -17.534 -3.980 653 HA LEU 22 HA LEU 22 8.713 -16.536 -2.966 654 1HB LEU 22 2HB LEU 22 10.087 -15.366 -1.680 655 2HB LEU 22 1HB LEU 22 11.448 -16.013 -2.575 656 HG LEU 22 HG LEU 22 10.020 -13.612 -3.623 657 1HD1 LEU 22 1HD1 LEU 22 12.156 -13.537 -1.498 658 2HD1 LEU 22 2HD1 LEU 22 10.446 -13.185 -1.230 659 3HD1 LEU 22 3HD1 LEU 22 11.405 -12.151 -2.292 660 1HD2 LEU 22 1HD2 LEU 22 12.956 -14.167 -3.645 661 2HD2 LEU 22 2HD2 LEU 22 11.999 -13.166 -4.739 662 3HD2 LEU 22 3HD2 LEU 22 11.875 -14.925 -4.817 663 H GLU 23 H GLU 23 10.196 -16.440 -5.990 664 HA GLU 23 HA GLU 23 9.626 -14.032 -7.128 665 1HB GLU 23 2HB GLU 23 10.624 -15.929 -8.348 666 2HB GLU 23 1HB GLU 23 9.064 -16.737 -8.365 667 1HG GLU 23 1HG GLU 23 8.137 -14.929 -9.717 668 2HG GLU 23 2HG GLU 23 9.703 -14.117 -9.702 669 H THR 24 H THR 24 7.399 -16.386 -5.942 670 HA THR 24 HA THR 24 5.059 -15.673 -7.284 671 HB THR 24 HB THR 24 5.087 -17.643 -5.908 672 HG1 THR 24 1HG THR 24 3.029 -17.084 -5.815 673 1HG2 THR 24 1HG2 THR 24 6.482 -16.061 -4.096 674 2HG2 THR 24 2HG2 THR 24 5.966 -17.731 -3.859 675 3HG2 THR 24 3HG2 THR 24 4.950 -16.405 -3.293 676 H LEU 25 H LEU 25 6.598 -14.273 -4.413 677 HA LEU 25 HA LEU 25 4.484 -12.458 -3.912 678 1HB LEU 25 1HB LEU 25 6.212 -11.231 -2.506 679 2HB LEU 25 2HB LEU 25 5.747 -12.841 -2.024 680 HG LEU 25 HG LEU 25 7.856 -13.710 -2.989 681 1HD1 LEU 25 1HD2 LEU 25 9.406 -11.362 -3.058 682 2HD1 LEU 25 2HD2 LEU 25 8.015 -11.082 -4.104 683 3HD1 LEU 25 3HD2 LEU 25 9.062 -12.484 -4.380 684 1HD2 LEU 25 1HD1 LEU 25 7.504 -12.022 -0.678 685 2HD2 LEU 25 2HD1 LEU 25 9.171 -11.982 -1.254 686 3HD2 LEU 25 3HD1 LEU 25 8.414 -13.522 -0.851 687 H GLU 26 H GLU 26 7.597 -12.092 -5.659 688 HA GLU 26 HA GLU 26 7.321 -9.352 -6.116 689 1HB GLU 26 2HB GLU 26 8.832 -9.568 -7.959 690 2HB GLU 26 1HB GLU 26 9.348 -10.717 -6.734 691 1HG GLU 26 1HG GLU 26 8.326 -12.530 -7.969 692 2HG GLU 26 2HG GLU 26 7.730 -11.396 -9.179 693 H GLU 27 H GLU 27 5.585 -12.065 -7.236 694 HA GLU 27 HA GLU 27 4.339 -10.697 -9.470 695 1HB GLU 27 1HB GLU 27 4.693 -13.050 -9.741 696 2HB GLU 27 2HB GLU 27 3.900 -13.405 -8.212 697 1HG GLU 27 2HG GLU 27 1.771 -12.700 -9.113 698 2HG GLU 27 1HG GLU 27 2.542 -12.245 -10.634 699 H MET 28 H MET 28 3.217 -12.079 -6.375 700 HA MET 28 HA MET 28 0.718 -10.621 -6.570 701 1HB MET 28 1HB MET 28 1.728 -12.480 -4.415 702 2HB MET 28 2HB MET 28 0.099 -11.828 -4.520 703 1HG MET 28 2HG MET 28 1.399 -13.659 -6.524 704 2HG MET 28 1HG MET 28 0.204 -14.124 -5.314 705 1HE MET 28 1HE MET 28 -2.078 -14.634 -8.118 706 2HE MET 28 2HE MET 28 -0.666 -15.282 -7.284 707 3HE MET 28 3HE MET 28 -0.481 -14.501 -8.853 708 H LEU 29 H LEU 29 3.517 -10.742 -4.434 709 HA LEU 29 HA LEU 29 2.701 -8.794 -2.566 710 1HB LEU 29 2HB LEU 29 4.460 -10.259 -2.009 711 2HB LEU 29 1HB LEU 29 5.376 -9.868 -3.440 712 HG LEU 29 HG LEU 29 5.587 -7.507 -2.352 713 1HD1 LEU 29 1HD1 LEU 29 4.036 -8.808 -0.400 714 2HD1 LEU 29 2HD1 LEU 29 4.778 -7.210 -0.308 715 3HD1 LEU 29 3HD1 LEU 29 5.652 -8.624 0.282 716 1HD2 LEU 29 1HD2 LEU 29 7.512 -8.817 -2.667 717 2HD2 LEU 29 2HD2 LEU 29 6.991 -10.015 -1.482 718 3HD2 LEU 29 3HD2 LEU 29 7.507 -8.414 -0.951 719 H GLU 30 H GLU 30 3.698 -8.510 -5.811 720 HA GLU 30 HA GLU 30 4.547 -5.748 -5.622 721 1HB GLU 30 2HB GLU 30 5.574 -7.105 -7.332 722 2HB GLU 30 1HB GLU 30 4.005 -7.547 -7.989 723 1HG GLU 30 2HG GLU 30 5.053 -5.908 -9.403 724 2HG GLU 30 1HG GLU 30 3.630 -5.210 -8.635 725 H LYS 31 H LYS 31 1.679 -7.571 -6.432 726 HA LYS 31 HA LYS 31 0.250 -5.222 -7.372 727 1HB LYS 31 1HB LYS 31 -0.994 -7.897 -6.797 728 2HB LYS 31 2HB LYS 31 -1.479 -6.689 -7.982 729 1HG LYS 31 1HG LYS 31 0.979 -8.417 -8.084 730 2HG LYS 31 2HG LYS 31 -0.465 -8.585 -9.085 731 1HD LYS 31 2HD LYS 31 -0.024 -6.551 -10.221 732 2HD LYS 31 1HD LYS 31 1.212 -6.084 -9.048 733 1HE LYS 31 2HE LYS 31 2.226 -6.855 -11.127 734 2HE LYS 31 1HE LYS 31 2.625 -7.931 -9.788 735 1HZ LYS 31 1HZ LYS 31 0.258 -8.630 -11.324 736 2HZ LYS 31 2HZ LYS 31 1.472 -9.623 -10.691 737 3HZ LYS 31 3HZ LYS 31 1.734 -8.786 -12.138 738 H LEU 32 H LEU 32 0.567 -7.218 -4.583 739 HA LEU 32 HA LEU 32 -1.674 -6.195 -3.152 740 1HB LEU 32 2HB LEU 32 -0.670 -8.378 -2.687 741 2HB LEU 32 1HB LEU 32 0.810 -7.591 -2.177 742 HG LEU 32 HG LEU 32 -0.217 -6.726 -0.221 743 1HD1 LEU 32 1HD1 LEU 32 -2.652 -6.980 -1.810 744 2HD1 LEU 32 2HD1 LEU 32 -2.264 -5.863 -0.502 745 3HD1 LEU 32 3HD1 LEU 32 -2.849 -7.485 -0.133 746 1HD2 LEU 32 1HD2 LEU 32 -0.352 -9.493 -0.828 747 2HD2 LEU 32 2HD2 LEU 32 -1.757 -9.076 0.149 748 3HD2 LEU 32 3HD2 LEU 32 -0.136 -8.721 0.740 749 H GLU 33 H GLU 33 1.532 -5.151 -3.806 750 HA GLU 33 HA GLU 33 1.554 -3.240 -1.608 751 1HB GLU 33 1HB GLU 33 3.767 -2.736 -2.180 752 2HB GLU 33 2HB GLU 33 3.630 -4.458 -2.493 753 1HG GLU 33 1HG GLU 33 4.753 -3.799 -4.361 754 2HG GLU 33 2HG GLU 33 3.092 -3.639 -4.932 755 H VAL 34 H VAL 34 1.133 -3.319 -5.126 756 HA VAL 34 HA VAL 34 0.995 -0.514 -5.478 757 HB VAL 34 HB VAL 34 -0.065 -0.915 -7.623 758 1HG1 VAL 34 1HG1 VAL 34 2.340 -2.439 -6.829 759 2HG1 VAL 34 2HG1 VAL 34 2.153 -1.139 -8.005 760 3HG1 VAL 34 3HG1 VAL 34 1.657 -2.779 -8.418 761 1HG2 VAL 34 1HG2 VAL 34 -1.173 -3.141 -6.440 762 2HG2 VAL 34 2HG2 VAL 34 -0.020 -3.811 -7.593 763 3HG2 VAL 34 3HG2 VAL 34 -1.275 -2.702 -8.145 764 H VAL 35 H VAL 35 -1.419 -2.982 -4.678 765 HA VAL 35 HA VAL 35 -3.728 -1.459 -5.016 766 HB VAL 35 HB VAL 35 -4.759 -2.770 -3.169 767 1HG1 VAL 35 1HG2 VAL 35 -5.163 -4.095 -4.904 768 2HG1 VAL 35 2HG2 VAL 35 -3.840 -5.092 -4.296 769 3HG1 VAL 35 3HG2 VAL 35 -3.535 -3.891 -5.555 770 1HG2 VAL 35 1HG1 VAL 35 -1.952 -3.745 -2.817 771 2HG2 VAL 35 2HG1 VAL 35 -3.348 -4.669 -2.262 772 3HG2 VAL 35 3HG1 VAL 35 -3.042 -3.057 -1.614 773 H VAL 36 H VAL 36 -1.481 -1.660 -2.276 774 HA VAL 36 HA VAL 36 -2.900 0.457 -0.908 775 HB VAL 36 HB VAL 36 -0.450 0.234 0.366 776 1HG1 VAL 36 1HG2 VAL 36 -2.422 -1.434 1.591 777 2HG1 VAL 36 2HG2 VAL 36 -3.190 0.000 0.897 778 3HG1 VAL 36 3HG2 VAL 36 -1.870 0.175 2.055 779 1HG2 VAL 36 1HG1 VAL 36 0.037 -2.045 0.700 780 2HG2 VAL 36 2HG1 VAL 36 -0.100 -1.835 -1.046 781 3HG2 VAL 36 3HG1 VAL 36 -1.428 -2.559 -0.139 782 H ASN 37 H ASN 37 -0.360 0.215 -3.207 783 HA ASN 37 HA ASN 37 1.047 2.576 -2.609 784 1HB ASN 37 1HB ASN 37 1.895 1.033 -4.293 785 2HB ASN 37 2HB ASN 37 0.459 1.277 -5.287 786 1HD2 ASN 37 1HD2 ASN 37 0.842 2.461 -6.981 787 2HD2 ASN 37 2HD2 ASN 37 1.933 3.810 -7.071 788 H GLU 38 H GLU 38 -1.971 1.920 -4.202 789 HA GLU 38 HA GLU 38 -2.420 4.679 -4.959 790 1HB GLU 38 2HB GLU 38 -4.268 2.287 -5.032 791 2HB GLU 38 1HB GLU 38 -4.615 3.863 -5.729 792 1HG GLU 38 1HG GLU 38 -2.361 2.055 -6.569 793 2HG GLU 38 2HG GLU 38 -3.904 2.217 -7.402 794 H ARG 39 H ARG 39 -3.610 2.366 -2.565 795 HA ARG 39 HA ARG 39 -5.475 4.167 -1.368 796 1HB ARG 39 1HB ARG 39 -4.332 1.502 -0.610 797 2HB ARG 39 2HB ARG 39 -5.289 2.413 0.545 798 1HG ARG 39 2HG ARG 39 -6.623 0.756 -0.628 799 2HG ARG 39 1HG ARG 39 -7.184 2.394 -0.964 800 1HD ARG 39 1HD ARG 39 -5.185 1.343 -2.834 801 2HD ARG 39 2HD ARG 39 -6.738 0.508 -2.851 802 HE ARG 39 HE ARG 39 -6.183 3.047 -3.949 803 1HH1 ARG 39 1HH1 ARG 39 -8.608 1.336 -2.135 804 2HH1 ARG 39 2HH1 ARG 39 -9.917 2.317 -2.705 805 1HH2 ARG 39 1HH2 ARG 39 -7.894 4.359 -4.701 806 2HH2 ARG 39 2HH2 ARG 39 -9.510 4.040 -4.165 807 H ARG 40 H ARG 40 -2.340 2.880 -0.246 808 HA ARG 40 HA ARG 40 -2.075 4.241 2.107 809 1HB ARG 40 1HB ARG 40 -0.060 3.409 0.059 810 2HB ARG 40 2HB ARG 40 0.470 4.447 1.371 811 1HG ARG 40 2HG ARG 40 -0.848 1.753 1.675 812 2HG ARG 40 1HG ARG 40 0.876 2.101 1.877 813 1HD ARG 40 1HD ARG 40 0.366 3.595 3.732 814 2HD ARG 40 2HD ARG 40 -1.359 3.320 3.507 815 HE ARG 40 HE ARG 40 -0.067 0.858 3.935 816 1HH1 ARG 40 1HH1 ARG 40 -0.970 3.774 5.613 817 2HH1 ARG 40 2HH1 ARG 40 -1.086 3.005 7.159 818 1HH2 ARG 40 1HH2 ARG 40 -0.218 -0.164 5.973 819 2HH2 ARG 40 2HH2 ARG 40 -0.658 0.767 7.364 820 H GLU 41 H GLU 41 -1.620 5.504 -1.148 821 HA GLU 41 HA GLU 41 -0.873 8.127 -0.156 822 1HB GLU 41 2HB GLU 41 -1.383 7.141 -2.963 823 2HB GLU 41 1HB GLU 41 -0.791 8.745 -2.551 824 1HG GLU 41 2HG GLU 41 1.202 7.745 -1.543 825 2HG GLU 41 1HG GLU 41 0.610 6.142 -1.982 826 H GLU 42 H GLU 42 -3.691 6.681 -1.794 827 HA GLU 42 HA GLU 42 -5.108 9.204 -1.781 828 1HB GLU 42 2HB GLU 42 -5.375 7.684 -3.673 829 2HB GLU 42 1HB GLU 42 -6.017 6.444 -2.604 830 1HG GLU 42 1HG GLU 42 -7.796 7.541 -3.827 831 2HG GLU 42 2HG GLU 42 -7.934 7.861 -2.097 832 H GLU 43 H GLU 43 -5.467 6.055 -0.192 833 HA GLU 43 HA GLU 43 -7.792 6.528 1.229 834 1HB GLU 43 2HB GLU 43 -5.947 4.499 1.131 835 2HB GLU 43 1HB GLU 43 -5.724 5.111 2.764 836 1HG GLU 43 1HG GLU 43 -8.305 4.126 1.570 837 2HG GLU 43 2HG GLU 43 -7.298 3.274 2.730 838 H SER 44 H SER 44 -4.428 7.160 2.224 839 HA SER 44 HA SER 44 -5.007 8.335 4.703 840 1HB SER 44 1HB SER 44 -2.712 8.927 2.810 841 2HB SER 44 2HB SER 44 -2.774 9.395 4.509 842 HG SER 44 HG SER 44 -2.911 6.723 3.562 843 H ALA 45 H ALA 45 -4.956 9.562 1.446 844 HA ALA 45 HA ALA 45 -5.190 12.313 1.983 845 1HB ALA 45 1HB ALA 45 -6.476 12.010 -0.394 846 2HB ALA 45 2HB ALA 45 -5.519 10.526 -0.327 847 3HB ALA 45 3HB ALA 45 -4.723 12.100 -0.211 848 H ALA 46 H ALA 46 -7.578 9.739 1.560 849 HA ALA 46 HA ALA 46 -9.886 11.356 1.634 850 1HB ALA 46 1HB ALA 46 -9.507 8.452 2.369 851 2HB ALA 46 2HB ALA 46 -9.982 9.091 0.796 852 3HB ALA 46 3HB ALA 46 -11.069 9.246 2.176 853 H ALA 47 H ALA 47 -8.072 9.650 4.149 854 HA ALA 47 HA ALA 47 -9.815 10.233 6.289 855 1HB ALA 47 1HB ALA 47 -7.749 9.797 7.701 856 2HB ALA 47 2HB ALA 47 -6.894 9.527 6.182 857 3HB ALA 47 3HB ALA 47 -8.256 8.497 6.624 858 H ALA 48 H ALA 48 -6.923 11.881 5.071 859 HA ALA 48 HA ALA 48 -6.886 13.924 7.030 860 1HB ALA 48 1HB ALA 48 -5.103 13.140 5.231 861 2HB ALA 48 2HB ALA 48 -5.096 14.771 5.902 862 3HB ALA 48 3HB ALA 48 -5.812 14.471 4.317 863 H GLU 49 H GLU 49 -8.417 13.623 3.881 864 HA GLU 49 HA GLU 49 -9.230 16.282 3.539 865 1HB GLU 49 1HB GLU 49 -9.271 14.495 1.791 866 2HB GLU 49 2HB GLU 49 -10.667 13.792 2.596 867 1HG GLU 49 1HG GLU 49 -10.587 16.581 1.470 868 2HG GLU 49 2HG GLU 49 -11.211 15.175 0.611 869 H VAL 50 H VAL 50 -10.860 13.533 5.085 870 HA VAL 50 HA VAL 50 -13.278 14.835 5.670 871 HB VAL 50 HB VAL 50 -11.943 12.585 7.184 872 1HG1 VAL 50 1HG2 VAL 50 -13.564 13.003 8.679 873 2HG1 VAL 50 2HG2 VAL 50 -14.624 12.240 7.495 874 3HG1 VAL 50 3HG2 VAL 50 -14.485 13.998 7.553 875 1HG2 VAL 50 1HG1 VAL 50 -14.221 11.986 5.455 876 2HG2 VAL 50 2HG1 VAL 50 -12.677 11.151 5.628 877 3HG2 VAL 50 3HG1 VAL 50 -12.800 12.571 4.589 878 H GLU 51 H GLU 51 -10.450 14.271 7.780 879 HA GLU 51 HA GLU 51 -11.488 15.910 9.878 880 1HB GLU 51 1HB GLU 51 -9.927 14.069 10.326 881 2HB GLU 51 2HB GLU 51 -8.675 14.905 9.420 882 1HG GLU 51 1HG GLU 51 -8.342 15.173 11.801 883 2HG GLU 51 2HG GLU 51 -8.702 16.723 11.042 884 H GLU 52 H GLU 52 -11.235 18.016 10.255 885 HA GLU 52 HA GLU 52 -9.121 19.642 9.454 886 1HB GLU 52 2HB GLU 52 -9.947 19.208 7.168 887 2HB GLU 52 1HB GLU 52 -11.519 19.854 7.620 888 1HG GLU 52 1HG GLU 52 -10.531 22.037 8.013 889 2HG GLU 52 2HG GLU 52 -8.935 21.400 7.618 890 H ARG 53 H ARG 53 -12.393 19.209 10.430 891 HA ARG 53 HA ARG 53 -13.735 20.329 11.883 892 1HB ARG 53 1HB ARG 53 -11.242 21.948 12.448 893 2HB ARG 53 2HB ARG 53 -12.723 22.008 13.394 894 1HG ARG 53 1HG ARG 53 -12.442 19.668 14.005 895 2HG ARG 53 2HG ARG 53 -10.969 19.587 13.036 896 1HD ARG 53 1HD ARG 53 -10.463 19.885 15.410 897 2HD ARG 53 2HD ARG 53 -9.925 21.266 14.456 898 HE ARG 53 HE ARG 53 -12.500 21.792 15.426 899 1HH1 ARG 53 1HH1 ARG 53 -9.237 21.414 16.590 900 2HH1 ARG 53 2HH1 ARG 53 -9.466 22.460 17.950 901 1HH2 ARG 53 1HH2 ARG 53 -12.808 23.171 17.215 902 2HH2 ARG 53 2HH2 ARG 53 -11.494 23.458 18.307 903 H THR 54 H THR 54 -13.639 21.060 9.142 904 HA THR 54 HA THR 54 -13.647 23.897 8.852 905 HB THR 54 HB THR 54 -14.858 21.773 7.069 906 HG1 THR 54 1HG THR 54 -12.541 23.142 6.363 907 1HG2 THR 54 1HG2 THR 54 -14.111 24.040 5.589 908 2HG2 THR 54 2HG2 THR 54 -15.007 24.644 6.981 909 3HG2 THR 54 3HG2 THR 54 -15.745 23.456 5.906 910 H ARG 55 H ARG 55 -15.169 25.286 9.394 911 HA ARG 55 HA ARG 55 -17.658 24.410 10.508 912 1HB ARG 55 2HB ARG 55 -18.087 26.857 10.761 913 2HB ARG 55 1HB ARG 55 -16.575 26.320 11.481 914 1HG ARG 55 1HG ARG 55 -15.425 27.087 9.382 915 2HG ARG 55 2HG ARG 55 -16.956 27.829 8.910 916 1HD ARG 55 1HD ARG 55 -15.390 28.429 11.415 917 2HD ARG 55 2HD ARG 55 -15.475 29.449 9.980 918 HE ARG 55 HE ARG 55 -17.330 29.394 12.093 919 1HH1 ARG 55 1HH1 ARG 55 -17.211 29.553 8.612 920 2HH1 ARG 55 2HH1 ARG 55 -18.717 30.399 8.474 921 1HH2 ARG 55 1HH2 ARG 55 -19.309 30.505 11.917 922 2HH2 ARG 55 2HH2 ARG 55 -19.909 30.940 10.351 923 H LYS 56 H LYS 56 -19.653 24.412 9.621 924 HA LYS 56 HA LYS 56 -19.915 24.425 6.805 925 1HB LYS 56 1HB LYS 56 -22.053 24.507 8.943 926 2HB LYS 56 2HB LYS 56 -22.331 24.147 7.244 927 1HG LYS 56 1HG LYS 56 -20.621 22.518 9.112 928 2HG LYS 56 2HG LYS 56 -22.273 22.130 8.632 929 1HD LYS 56 2HD LYS 56 -19.985 22.432 6.692 930 2HD LYS 56 1HD LYS 56 -20.498 20.890 7.376 931 1HE LYS 56 2HE LYS 56 -21.494 21.123 5.212 932 2HE LYS 56 1HE LYS 56 -22.760 21.285 6.427 933 1HZ LYS 56 1HZ LYS 56 -22.611 22.946 4.451 934 2HZ LYS 56 2HZ LYS 56 -21.446 23.705 5.413 935 3HZ LYS 56 3HZ LYS 56 -23.019 23.502 5.996 936 H LEU 57 H LEU 57 -22.658 25.829 7.126 937 HA LEU 57 HA LEU 57 -21.876 28.617 7.311 938 1HB LEU 57 2HB LEU 57 -22.911 27.401 4.747 939 2HB LEU 57 1HB LEU 57 -22.830 29.123 5.056 940 HG LEU 57 HG LEU 57 -20.428 27.297 5.019 941 1HD1 LEU 57 1HD2 LEU 57 -20.390 29.133 2.879 942 2HD1 LEU 57 2HD2 LEU 57 -21.966 28.343 2.858 943 3HD1 LEU 57 3HD2 LEU 57 -20.493 27.374 2.806 944 1HD2 LEU 57 1HD1 LEU 57 -19.138 29.335 4.982 945 2HD2 LEU 57 2HD1 LEU 57 -20.204 29.339 6.386 946 3HD2 LEU 57 3HD1 LEU 57 -20.611 30.304 4.967 Start of MODEL 7 1 H SER 1 1HT SER 1 4.504 5.231 -1.227 2 HA SER 1 HA SER 1 6.391 4.894 -0.084 3 1HB SER 1 2HB SER 1 5.572 7.117 0.550 4 2HB SER 1 1HB SER 1 4.693 6.419 1.911 5 HG SER 1 HG SER 1 7.217 5.623 2.070 6 H GLU 2 H GLU 2 3.679 4.193 2.106 7 HA GLU 2 HA GLU 2 5.295 2.550 3.825 8 1HB GLU 2 2HB GLU 2 3.397 3.817 4.720 9 2HB GLU 2 1HB GLU 2 2.297 2.910 3.694 10 1HG GLU 2 1HG GLU 2 2.190 2.053 5.929 11 2HG GLU 2 2HG GLU 2 2.933 0.848 4.879 12 H ALA 3 H ALA 3 3.024 2.068 1.202 13 HA ALA 3 HA ALA 3 2.900 -0.793 1.475 14 1HB ALA 3 1HB ALA 3 2.137 0.909 -0.897 15 2HB ALA 3 2HB ALA 3 1.076 0.567 0.471 16 3HB ALA 3 3HB ALA 3 1.625 -0.746 -0.569 17 H LEU 4 H LEU 4 4.947 1.471 0.070 18 HA LEU 4 HA LEU 4 6.167 -0.276 -1.863 19 1HB LEU 4 1HB LEU 4 6.799 2.507 -0.880 20 2HB LEU 4 2HB LEU 4 7.637 1.714 -2.202 21 HG LEU 4 HG LEU 4 5.754 1.859 -3.626 22 1HD1 LEU 4 1HD2 LEU 4 4.132 2.531 -1.171 23 2HD1 LEU 4 2HD2 LEU 4 3.974 1.117 -2.214 24 3HD1 LEU 4 3HD2 LEU 4 3.544 2.714 -2.825 25 1HD2 LEU 4 1HD1 LEU 4 6.244 3.996 -3.918 26 2HD2 LEU 4 2HD1 LEU 4 6.674 4.175 -2.215 27 3HD2 LEU 4 3HD1 LEU 4 5.000 4.392 -2.728 28 H LYS 5 H LYS 5 6.960 1.255 1.200 29 HA LYS 5 HA LYS 5 9.532 -0.013 1.405 30 1HB LYS 5 2HB LYS 5 9.142 2.280 2.230 31 2HB LYS 5 1HB LYS 5 7.997 1.656 3.408 32 1HG LYS 5 1HG LYS 5 10.837 0.709 3.371 33 2HG LYS 5 2HG LYS 5 10.379 2.214 4.176 34 1HD LYS 5 1HD LYS 5 8.781 0.991 5.558 35 2HD LYS 5 2HD LYS 5 9.222 -0.512 4.747 36 1HE LYS 5 2HE LYS 5 11.519 -0.274 5.565 37 2HE LYS 5 1HE LYS 5 11.071 1.223 6.382 38 1HZ LYS 5 1HZ LYS 5 11.115 -0.943 7.724 39 2HZ LYS 5 2HZ LYS 5 9.642 -1.289 6.968 40 3HZ LYS 5 3HZ LYS 5 9.795 0.096 7.927 41 H ILE 6 H ILE 6 6.286 -0.702 2.428 42 HA ILE 6 HA ILE 6 6.664 -2.249 4.689 43 HB ILE 6 HB ILE 6 4.414 -1.791 3.920 44 1HG1 ILE 6 2HG1 ILE 6 5.095 -4.729 3.694 45 2HG1 ILE 6 1HG1 ILE 6 4.679 -3.855 5.156 46 1HG2 ILE 6 1HG2 ILE 6 5.111 -1.840 1.478 47 2HG2 ILE 6 2HG2 ILE 6 3.512 -2.467 1.876 48 3HG2 ILE 6 3HG2 ILE 6 4.842 -3.581 1.556 49 1HD1 ILE 6 1HD1 ILE 6 2.624 -4.634 4.792 50 2HD1 ILE 6 2HD1 ILE 6 2.967 -4.991 3.096 51 3HD1 ILE 6 3HD1 ILE 6 2.527 -3.352 3.584 52 H LEU 7 H LEU 7 6.507 -3.273 1.342 53 HA LEU 7 HA LEU 7 7.782 -5.790 1.973 54 1HB LEU 7 2HB LEU 7 6.626 -6.595 0.221 55 2HB LEU 7 1HB LEU 7 5.765 -5.068 0.241 56 HG LEU 7 HG LEU 7 7.795 -4.333 -1.322 57 1HD1 LEU 7 1HD1 LEU 7 7.713 -6.710 -2.789 58 2HD1 LEU 7 2HD1 LEU 7 8.062 -7.187 -1.126 59 3HD1 LEU 7 3HD1 LEU 7 9.099 -6.016 -1.941 60 1HD2 LEU 7 1HD2 LEU 7 5.615 -4.039 -2.080 61 2HD2 LEU 7 2HD2 LEU 7 5.258 -5.767 -2.021 62 3HD2 LEU 7 3HD2 LEU 7 6.334 -5.131 -3.265 63 H ASN 8 H ASN 8 8.581 -2.678 1.178 64 HA ASN 8 HA ASN 8 10.485 -1.649 0.456 65 1HB ASN 8 2HB ASN 8 11.706 -4.380 0.946 66 2HB ASN 8 1HB ASN 8 12.622 -2.902 0.654 67 1HD2 ASN 8 2HD2 ASN 8 11.550 -4.923 2.981 68 2HD2 ASN 8 1HD2 ASN 8 11.546 -3.838 4.337 69 H ASN 9 H ASN 9 8.682 -2.917 -1.416 70 HA ASN 9 HA ASN 9 8.468 -3.284 -3.641 71 1HB ASN 9 2HB ASN 9 11.292 -2.202 -3.722 72 2HB ASN 9 1HB ASN 9 10.272 -2.460 -5.135 73 1HD2 ASN 9 1HD2 ASN 9 8.242 -1.509 -2.699 74 2HD2 ASN 9 2HD2 ASN 9 8.219 0.186 -3.013 75 H ILE 10 H ILE 10 8.492 -5.107 -4.794 76 HA ILE 10 HA ILE 10 9.741 -7.430 -3.976 77 HB ILE 10 HB ILE 10 9.176 -8.414 -6.119 78 1HG1 ILE 10 1HG1 ILE 10 9.820 -6.447 -7.529 79 2HG1 ILE 10 2HG1 ILE 10 8.261 -7.145 -7.952 80 1HG2 ILE 10 1HG2 ILE 10 7.219 -6.711 -4.664 81 2HG2 ILE 10 2HG2 ILE 10 7.349 -8.470 -4.757 82 3HG2 ILE 10 3HG2 ILE 10 6.696 -7.558 -6.121 83 1HD1 ILE 10 1HD1 ILE 10 7.350 -5.147 -7.777 84 2HD1 ILE 10 2HD1 ILE 10 8.892 -4.465 -7.258 85 3HD1 ILE 10 3HD1 ILE 10 7.768 -5.115 -6.064 86 H ARG 11 H ARG 11 11.030 -4.888 -5.973 87 HA ARG 11 HA ARG 11 13.076 -6.317 -7.262 88 1HB ARG 11 2HB ARG 11 14.182 -4.113 -7.511 89 2HB ARG 11 1HB ARG 11 12.487 -4.083 -7.973 90 1HG ARG 11 2HG ARG 11 11.908 -3.063 -5.838 91 2HG ARG 11 1HG ARG 11 13.605 -3.111 -5.352 92 1HD ARG 11 1HD ARG 11 14.180 -1.646 -7.226 93 2HD ARG 11 2HD ARG 11 12.483 -1.592 -7.704 94 HE ARG 11 HE ARG 11 12.656 -0.771 -5.042 95 1HH1 ARG 11 1HH1 ARG 11 13.658 0.306 -8.201 96 2HH1 ARG 11 2HH1 ARG 11 13.608 1.987 -7.785 97 1HH2 ARG 11 1HH2 ARG 11 12.588 1.438 -4.486 98 2HH2 ARG 11 2HH2 ARG 11 13.000 2.630 -5.673 99 H THR 12 H THR 12 13.137 -4.473 -4.217 100 HA THR 12 HA THR 12 15.829 -5.220 -3.601 101 HB THR 12 HB THR 12 13.691 -4.026 -1.824 102 HG1 THR 12 1HG THR 12 14.158 -2.466 -3.253 103 1HG2 THR 12 1HG2 THR 12 16.312 -3.354 -0.982 104 2HG2 THR 12 2HG2 THR 12 16.251 -5.106 -1.180 105 3HG2 THR 12 3HG2 THR 12 15.096 -4.298 -0.120 106 H LEU 13 H LEU 13 12.627 -6.317 -2.591 107 HA LEU 13 HA LEU 13 13.466 -8.072 -0.568 108 1HB LEU 13 1HB LEU 13 11.132 -7.266 -0.943 109 2HB LEU 13 2HB LEU 13 11.025 -8.357 -2.312 110 HG LEU 13 HG LEU 13 11.561 -9.279 0.514 111 1HD1 LEU 13 1HD1 LEU 13 9.343 -9.510 0.915 112 2HD1 LEU 13 2HD1 LEU 13 8.945 -9.746 -0.788 113 3HD1 LEU 13 3HD1 LEU 13 9.260 -8.124 -0.173 114 1HD2 LEU 13 1HD2 LEU 13 10.742 -10.760 -1.981 115 2HD2 LEU 13 2HD2 LEU 13 10.903 -11.466 -0.374 116 3HD2 LEU 13 3HD2 LEU 13 12.325 -10.825 -1.203 117 H ARG 14 H ARG 14 12.623 -8.739 -3.959 118 HA ARG 14 HA ARG 14 13.027 -11.426 -4.101 119 1HB ARG 14 2HB ARG 14 12.257 -10.153 -6.008 120 2HB ARG 14 1HB ARG 14 13.797 -9.314 -6.121 121 1HG ARG 14 2HG ARG 14 13.618 -11.008 -7.838 122 2HG ARG 14 1HG ARG 14 14.900 -11.420 -6.696 123 1HD ARG 14 1HD ARG 14 13.358 -12.938 -5.539 124 2HD ARG 14 2HD ARG 14 12.107 -12.549 -6.717 125 HE ARG 14 HE ARG 14 14.145 -14.457 -7.032 126 1HH1 ARG 14 1HH1 ARG 14 12.521 -11.942 -8.818 127 2HH1 ARG 14 2HH1 ARG 14 12.801 -12.681 -10.359 128 1HH2 ARG 14 1HH2 ARG 14 14.516 -15.434 -9.055 129 2HH2 ARG 14 2HH2 ARG 14 13.934 -14.665 -10.494 130 H ALA 15 H ALA 15 15.440 -8.926 -3.870 131 HA ALA 15 HA ALA 15 17.654 -10.682 -4.444 132 1HB ALA 15 1HB ALA 15 17.572 -8.222 -4.967 133 2HB ALA 15 2HB ALA 15 19.034 -8.797 -4.166 134 3HB ALA 15 3HB ALA 15 17.799 -7.943 -3.241 135 H GLN 16 H GLN 16 16.483 -8.960 -1.548 136 HA GLN 16 HA GLN 16 18.461 -10.025 0.181 137 1HB GLN 16 1HB GLN 16 17.026 -9.240 2.013 138 2HB GLN 16 2HB GLN 16 17.178 -8.016 0.758 139 1HG GLN 16 1HG GLN 16 14.997 -8.674 -0.131 140 2HG GLN 16 2HG GLN 16 14.840 -9.867 1.156 141 1HE2 GLN 16 2HE2 GLN 16 13.858 -6.924 0.224 142 2HE2 GLN 16 1HE2 GLN 16 13.540 -6.198 1.768 143 H ALA 17 H ALA 17 15.340 -11.081 -0.843 144 HA ALA 17 HA ALA 17 15.273 -13.344 0.956 145 1HB ALA 17 1HB ALA 17 13.379 -12.190 -1.038 146 2HB ALA 17 2HB ALA 17 13.145 -12.510 0.681 147 3HB ALA 17 3HB ALA 17 13.166 -13.848 -0.467 148 H ARG 18 H ARG 18 16.371 -12.566 -2.191 149 HA ARG 18 HA ARG 18 16.089 -14.785 -3.723 150 1HB ARG 18 1HB ARG 18 17.381 -12.759 -4.330 151 2HB ARG 18 2HB ARG 18 18.686 -13.300 -3.285 152 1HG ARG 18 1HG ARG 18 19.073 -15.217 -4.684 153 2HG ARG 18 2HG ARG 18 17.680 -14.802 -5.690 154 1HD ARG 18 2HD ARG 18 18.756 -12.685 -6.284 155 2HD ARG 18 1HD ARG 18 20.152 -13.124 -5.303 156 HE ARG 18 HE ARG 18 19.673 -13.918 -7.961 157 1HH1 ARG 18 1HH1 ARG 18 20.835 -15.192 -4.932 158 2HH1 ARG 18 2HH1 ARG 18 21.832 -16.398 -5.675 159 1HH2 ARG 18 1HH2 ARG 18 20.983 -15.501 -8.946 160 2HH2 ARG 18 2HH2 ARG 18 21.917 -16.573 -7.955 161 H GLU 19 H GLU 19 17.962 -14.449 -0.821 162 HA GLU 19 HA GLU 19 18.890 -17.239 -1.069 163 1HB GLU 19 2HB GLU 19 20.569 -16.650 0.653 164 2HB GLU 19 1HB GLU 19 20.726 -15.678 -0.804 165 1HG GLU 19 1HG GLU 19 19.570 -13.832 0.300 166 2HG GLU 19 2HG GLU 19 19.414 -14.808 1.762 167 H SER 20 H SER 20 16.259 -16.924 -0.405 168 HA SER 20 HA SER 20 16.119 -18.238 2.118 169 1HB SER 20 2HB SER 20 16.352 -15.943 2.950 170 2HB SER 20 1HB SER 20 14.980 -15.437 1.966 171 HG SER 20 HG SER 20 14.569 -17.574 3.694 172 H THR 21 H THR 21 13.730 -18.454 2.804 173 HA THR 21 HA THR 21 12.286 -19.495 0.548 174 HB THR 21 HB THR 21 11.431 -19.331 3.448 175 HG1 THR 21 1HG THR 21 12.596 -21.529 2.059 176 1HG2 THR 21 1HG2 THR 21 9.606 -19.730 1.789 177 2HG2 THR 21 2HG2 THR 21 9.853 -21.067 2.912 178 3HG2 THR 21 3HG2 THR 21 10.466 -21.177 1.262 179 H LEU 22 H LEU 22 9.983 -18.983 0.144 180 HA LEU 22 HA LEU 22 9.585 -16.249 -0.263 181 1HB LEU 22 1HB LEU 22 7.898 -16.927 -1.551 182 2HB LEU 22 2HB LEU 22 8.388 -18.564 -1.157 183 HG LEU 22 HG LEU 22 6.382 -17.044 0.486 184 1HD1 LEU 22 1HD1 LEU 22 4.640 -18.238 -0.748 185 2HD1 LEU 22 2HD1 LEU 22 5.864 -18.877 -1.845 186 3HD1 LEU 22 3HD1 LEU 22 5.549 -17.141 -1.789 187 1HD2 LEU 22 1HD2 LEU 22 5.915 -19.006 1.544 188 2HD2 LEU 22 2HD2 LEU 22 7.645 -19.196 1.251 189 3HD2 LEU 22 3HD2 LEU 22 6.479 -19.997 0.197 190 H GLU 23 H GLU 23 9.185 -18.134 2.530 191 HA GLU 23 HA GLU 23 7.027 -17.227 3.872 192 1HB GLU 23 2HB GLU 23 8.301 -17.416 5.953 193 2HB GLU 23 1HB GLU 23 8.693 -18.735 4.860 194 1HG GLU 23 1HG GLU 23 10.750 -17.600 4.212 195 2HG GLU 23 2HG GLU 23 10.357 -16.267 5.298 196 H THR 24 H THR 24 9.765 -15.348 2.880 197 HA THR 24 HA THR 24 9.616 -13.127 4.530 198 HB THR 24 HB THR 24 11.395 -13.308 2.904 199 HG1 THR 24 1HG THR 24 10.478 -11.111 1.719 200 1HG2 THR 24 1HG2 THR 24 11.066 -13.135 0.536 201 2HG2 THR 24 2HG2 THR 24 9.343 -12.826 0.746 202 3HG2 THR 24 3HG2 THR 24 10.008 -14.412 1.136 203 H LEU 25 H LEU 25 7.715 -13.919 1.637 204 HA LEU 25 HA LEU 25 6.227 -11.521 1.665 205 1HB LEU 25 2HB LEU 25 4.555 -12.850 0.273 206 2HB LEU 25 1HB LEU 25 6.147 -12.574 -0.392 207 HG LEU 25 HG LEU 25 6.766 -14.906 0.251 208 1HD1 LEU 25 1HD2 LEU 25 4.185 -16.043 0.397 209 2HD1 LEU 25 2HD2 LEU 25 4.284 -14.801 1.643 210 3HD1 LEU 25 3HD2 LEU 25 5.482 -16.102 1.595 211 1HD2 LEU 25 1HD1 LEU 25 4.761 -15.764 -1.417 212 2HD2 LEU 25 2HD1 LEU 25 6.306 -15.077 -1.918 213 3HD2 LEU 25 3HD1 LEU 25 4.883 -14.044 -1.785 214 H GLU 26 H GLU 26 5.633 -14.757 3.017 215 HA GLU 26 HA GLU 26 3.066 -14.290 3.959 216 1HB GLU 26 1HB GLU 26 3.979 -16.501 4.090 217 2HB GLU 26 2HB GLU 26 5.294 -15.965 5.131 218 1HG GLU 26 2HG GLU 26 3.680 -15.479 6.906 219 2HG GLU 26 1HG GLU 26 2.373 -16.028 5.858 220 H GLU 27 H GLU 27 6.136 -13.096 4.978 221 HA GLU 27 HA GLU 27 5.169 -12.076 7.513 222 1HB GLU 27 1HB GLU 27 7.497 -12.813 7.301 223 2HB GLU 27 2HB GLU 27 7.778 -11.603 6.057 224 1HG GLU 27 2HG GLU 27 7.347 -9.831 7.681 225 2HG GLU 27 1HG GLU 27 7.068 -11.045 8.929 226 H MET 28 H MET 28 6.266 -10.682 4.422 227 HA MET 28 HA MET 28 5.318 -8.049 5.188 228 1HB MET 28 1HB MET 28 6.562 -8.999 2.604 229 2HB MET 28 2HB MET 28 6.247 -7.324 3.035 230 1HG MET 28 2HG MET 28 8.133 -9.178 4.464 231 2HG MET 28 1HG MET 28 8.590 -7.919 3.318 232 1HE MET 28 1HE MET 28 9.865 -7.717 6.591 233 2HE MET 28 2HE MET 28 9.996 -6.037 6.070 234 3HE MET 28 3HE MET 28 10.225 -7.343 4.906 235 H LEU 29 H LEU 29 4.673 -10.409 2.649 236 HA LEU 29 HA LEU 29 2.675 -9.097 1.246 237 1HB LEU 29 1HB LEU 29 3.824 -11.184 0.571 238 2HB LEU 29 2HB LEU 29 2.917 -12.059 1.782 239 HG LEU 29 HG LEU 29 0.840 -11.609 0.568 240 1HD1 LEU 29 1HD1 LEU 29 0.660 -10.241 -1.213 241 2HD1 LEU 29 2HD1 LEU 29 2.259 -10.658 -1.827 242 3HD1 LEU 29 3HD1 LEU 29 2.095 -9.488 -0.517 243 1HD2 LEU 29 1HD2 LEU 29 1.253 -13.096 -1.268 244 2HD2 LEU 29 2HD2 LEU 29 2.246 -13.607 0.097 245 3HD2 LEU 29 3HD2 LEU 29 2.976 -12.721 -1.242 246 H GLU 30 H GLU 30 2.418 -11.071 4.166 247 HA GLU 30 HA GLU 30 -0.395 -11.166 4.301 248 1HB GLU 30 2HB GLU 30 0.991 -12.649 5.644 249 2HB GLU 30 1HB GLU 30 1.655 -11.276 6.521 250 1HG GLU 30 1HG GLU 30 -0.560 -10.788 7.433 251 2HG GLU 30 2HG GLU 30 -1.216 -12.176 6.565 252 H LYS 31 H LYS 31 1.937 -8.749 5.293 253 HA LYS 31 HA LYS 31 -0.068 -7.187 6.704 254 1HB LYS 31 1HB LYS 31 2.688 -6.218 6.010 255 2HB LYS 31 2HB LYS 31 1.692 -5.815 7.405 256 1HG LYS 31 2HG LYS 31 3.047 -8.443 6.868 257 2HG LYS 31 1HG LYS 31 3.531 -7.238 8.066 258 1HD LYS 31 1HD LYS 31 1.436 -7.572 9.266 259 2HD LYS 31 2HD LYS 31 0.905 -8.730 8.044 260 1HE LYS 31 2HE LYS 31 1.753 -9.873 10.022 261 2HE LYS 31 1HE LYS 31 2.762 -10.201 8.615 262 1HZ LYS 31 1HZ LYS 31 3.958 -8.042 9.686 263 2HZ LYS 31 2HZ LYS 31 4.427 -9.640 9.976 264 3HZ LYS 31 3HZ LYS 31 3.418 -8.844 11.075 265 H LEU 32 H LEU 32 1.514 -7.346 3.652 266 HA LEU 32 HA LEU 32 0.874 -4.768 2.695 267 1HB LEU 32 1HB LEU 32 2.599 -6.389 1.801 268 2HB LEU 32 2HB LEU 32 1.270 -7.248 1.046 269 HG LEU 32 HG LEU 32 0.728 -5.390 -0.343 270 1HD1 LEU 32 1HD2 LEU 32 2.804 -3.532 0.173 271 2HD1 LEU 32 2HD2 LEU 32 1.984 -3.870 1.697 272 3HD1 LEU 32 3HD2 LEU 32 1.061 -3.301 0.306 273 1HD2 LEU 32 1HD1 LEU 32 2.667 -5.245 -1.703 274 2HD2 LEU 32 2HD1 LEU 32 2.661 -6.847 -0.968 275 3HD2 LEU 32 3HD1 LEU 32 3.726 -5.592 -0.337 276 H GLU 33 H GLU 33 -0.859 -7.728 3.027 277 HA GLU 33 HA GLU 33 -2.980 -6.860 1.232 278 1HB GLU 33 2HB GLU 33 -4.096 -8.967 1.839 279 2HB GLU 33 1HB GLU 33 -2.466 -9.216 1.239 280 1HG GLU 33 2HG GLU 33 -2.567 -10.677 3.009 281 2HG GLU 33 1HG GLU 33 -1.811 -9.265 3.739 282 H VAL 34 H VAL 34 -2.375 -7.193 4.707 283 HA VAL 34 HA VAL 34 -5.003 -6.516 5.515 284 HB VAL 34 HB VAL 34 -4.149 -6.094 7.718 285 1HG1 VAL 34 1HG1 VAL 34 -4.327 -8.365 7.493 286 2HG1 VAL 34 2HG1 VAL 34 -2.631 -8.210 7.947 287 3HG1 VAL 34 3HG1 VAL 34 -3.073 -8.454 6.257 288 1HG2 VAL 34 1HG2 VAL 34 -1.774 -6.039 8.243 289 2HG2 VAL 34 2HG2 VAL 34 -2.196 -4.756 7.107 290 3HG2 VAL 34 3HG2 VAL 34 -1.380 -6.209 6.532 291 H VAL 35 H VAL 35 -2.135 -4.610 4.715 292 HA VAL 35 HA VAL 35 -3.019 -2.129 5.669 293 HB VAL 35 HB VAL 35 -1.661 -1.091 3.827 294 1HG1 VAL 35 1HG2 VAL 35 0.454 -2.672 4.634 295 2HG1 VAL 35 2HG2 VAL 35 -0.709 -2.793 5.959 296 3HG1 VAL 35 3HG2 VAL 35 -0.134 -1.209 5.427 297 1HG2 VAL 35 1HG1 VAL 35 -0.310 -2.483 2.403 298 2HG2 VAL 35 2HG1 VAL 35 -2.017 -2.855 2.163 299 3HG2 VAL 35 3HG1 VAL 35 -1.005 -3.936 3.119 300 H VAL 36 H VAL 36 -3.524 -3.707 2.512 301 HA VAL 36 HA VAL 36 -5.358 -1.633 1.707 302 HB VAL 36 HB VAL 36 -5.860 -3.713 -0.019 303 1HG1 VAL 36 1HG2 VAL 36 -5.246 -1.147 -0.191 304 2HG1 VAL 36 2HG2 VAL 36 -5.140 -2.239 -1.576 305 3HG1 VAL 36 3HG2 VAL 36 -3.684 -1.820 -0.673 306 1HG2 VAL 36 1HG1 VAL 36 -3.906 -4.885 1.117 307 2HG2 VAL 36 2HG1 VAL 36 -2.889 -3.689 0.317 308 3HG2 VAL 36 3HG1 VAL 36 -3.887 -4.782 -0.645 309 H ASN 37 H ASN 37 -5.547 -4.566 3.467 310 HA ASN 37 HA ASN 37 -8.167 -5.385 2.927 311 1HB ASN 37 2HB ASN 37 -6.588 -6.648 4.352 312 2HB ASN 37 1HB ASN 37 -6.686 -5.391 5.575 313 1HD2 ASN 37 1HD2 ASN 37 -7.798 -6.034 7.229 314 2HD2 ASN 37 2HD2 ASN 37 -9.255 -6.974 7.190 315 H GLU 38 H GLU 38 -6.836 -2.932 4.990 316 HA GLU 38 HA GLU 38 -9.385 -2.070 6.028 317 1HB GLU 38 1HB GLU 38 -6.664 -0.761 6.162 318 2HB GLU 38 2HB GLU 38 -8.086 -0.243 7.055 319 1HG GLU 38 1HG GLU 38 -6.698 -2.898 7.344 320 2HG GLU 38 2HG GLU 38 -6.562 -1.531 8.451 321 H ARG 39 H ARG 39 -7.040 -0.928 3.634 322 HA ARG 39 HA ARG 39 -8.500 1.430 2.974 323 1HB ARG 39 2HB ARG 39 -6.198 -0.018 1.719 324 2HB ARG 39 1HB ARG 39 -6.985 1.309 0.882 325 1HG ARG 39 1HG ARG 39 -5.085 2.175 2.011 326 2HG ARG 39 2HG ARG 39 -6.526 2.743 2.850 327 1HD ARG 39 2HD ARG 39 -6.115 0.572 4.289 328 2HD ARG 39 1HD ARG 39 -4.464 0.778 3.704 329 HE ARG 39 HE ARG 39 -4.231 2.464 5.210 330 1HH1 ARG 39 1HH1 ARG 39 -7.604 2.116 4.433 331 2HH1 ARG 39 2HH1 ARG 39 -8.126 3.326 5.558 332 1HH2 ARG 39 1HH2 ARG 39 -4.899 4.064 6.699 333 2HH2 ARG 39 2HH2 ARG 39 -6.584 4.437 6.848 334 H ARG 40 H ARG 40 -8.036 -1.641 1.218 335 HA ARG 40 HA ARG 40 -9.569 -1.147 -0.994 336 1HB ARG 40 1HB ARG 40 -9.367 -3.711 0.595 337 2HB ARG 40 2HB ARG 40 -10.212 -3.608 -0.940 338 1HG ARG 40 2HG ARG 40 -7.303 -2.967 -0.539 339 2HG ARG 40 1HG ARG 40 -7.926 -4.507 -1.144 340 1HD ARG 40 1HD ARG 40 -8.385 -1.818 -2.447 341 2HD ARG 40 2HD ARG 40 -7.131 -2.959 -2.925 342 HE ARG 40 HE ARG 40 -8.738 -4.300 -3.904 343 1HH1 ARG 40 1HH1 ARG 40 -10.241 -1.618 -2.261 344 2HH1 ARG 40 2HH1 ARG 40 -11.815 -1.943 -2.903 345 1HH2 ARG 40 1HH2 ARG 40 -10.805 -4.721 -4.762 346 2HH2 ARG 40 2HH2 ARG 40 -12.135 -3.702 -4.323 347 H GLU 41 H GLU 41 -10.668 -1.987 2.247 348 HA GLU 41 HA GLU 41 -13.453 -1.964 1.446 349 1HB GLU 41 2HB GLU 41 -12.186 -2.210 4.174 350 2HB GLU 41 1HB GLU 41 -13.901 -2.396 3.837 351 1HG GLU 41 2HG GLU 41 -13.405 -4.309 2.392 352 2HG GLU 41 1HG GLU 41 -11.688 -4.126 2.755 353 H GLU 42 H GLU 42 -11.301 0.158 3.337 354 HA GLU 42 HA GLU 42 -13.464 2.006 3.877 355 1HB GLU 42 2HB GLU 42 -10.520 2.121 4.534 356 2HB GLU 42 1HB GLU 42 -11.685 3.351 5.008 357 1HG GLU 42 2HG GLU 42 -11.811 0.455 5.814 358 2HG GLU 42 1HG GLU 42 -11.168 1.760 6.809 359 H GLU 43 H GLU 43 -10.463 2.049 1.986 360 HA GLU 43 HA GLU 43 -10.581 4.662 1.068 361 1HB GLU 43 1HB GLU 43 -8.905 2.569 0.645 362 2HB GLU 43 2HB GLU 43 -9.703 2.664 -0.918 363 1HG GLU 43 2HG GLU 43 -8.329 4.970 0.439 364 2HG GLU 43 1HG GLU 43 -7.592 3.944 -0.785 365 H SER 44 H SER 44 -11.951 1.716 -0.393 366 HA SER 44 HA SER 44 -13.165 2.936 -2.605 367 1HB SER 44 1HB SER 44 -14.630 0.956 -2.674 368 2HB SER 44 2HB SER 44 -12.957 0.487 -2.369 369 HG SER 44 HG SER 44 -14.064 -0.610 -0.866 370 H ALA 45 H ALA 45 -14.126 2.553 0.720 371 HA ALA 45 HA ALA 45 -16.799 3.410 0.537 372 1HB ALA 45 1HB ALA 45 -16.506 2.529 2.592 373 2HB ALA 45 2HB ALA 45 -16.053 4.175 3.036 374 3HB ALA 45 3HB ALA 45 -14.800 2.987 2.655 375 H ALA 46 H ALA 46 -13.765 5.148 1.112 376 HA ALA 46 HA ALA 46 -14.904 7.706 1.507 377 1HB ALA 46 1HB ALA 46 -12.595 8.527 0.995 378 2HB ALA 46 2HB ALA 46 -12.146 6.863 0.618 379 3HB ALA 46 3HB ALA 46 -12.664 7.289 2.250 380 H ALA 47 H ALA 47 -13.683 6.022 -1.355 381 HA ALA 47 HA ALA 47 -13.846 8.131 -3.183 382 1HB ALA 47 1HB ALA 47 -13.444 5.288 -3.281 383 2HB ALA 47 2HB ALA 47 -12.924 6.529 -4.420 384 3HB ALA 47 3HB ALA 47 -14.518 5.796 -4.586 385 H ALA 48 H ALA 48 -16.250 5.691 -2.263 386 HA ALA 48 HA ALA 48 -18.286 6.657 -4.002 387 1HB ALA 48 1HB ALA 48 -19.273 4.762 -3.387 388 2HB ALA 48 2HB ALA 48 -19.396 5.329 -1.721 389 3HB ALA 48 3HB ALA 48 -17.951 4.471 -2.256 390 H GLU 49 H GLU 49 -17.397 7.264 -0.664 391 HA GLU 49 HA GLU 49 -19.632 8.726 0.155 392 1HB GLU 49 1HB GLU 49 -17.982 7.909 1.735 393 2HB GLU 49 2HB GLU 49 -16.742 8.930 1.019 394 1HG GLU 49 1HG GLU 49 -17.905 10.914 1.764 395 2HG GLU 49 2HG GLU 49 -19.209 9.927 2.423 396 H VAL 50 H VAL 50 -16.649 9.767 -1.438 397 HA VAL 50 HA VAL 50 -17.373 12.546 -1.417 398 HB VAL 50 HB VAL 50 -15.229 11.182 -3.057 399 1HG1 VAL 50 1HG2 VAL 50 -16.198 13.813 -3.117 400 2HG1 VAL 50 2HG2 VAL 50 -14.728 13.191 -3.868 401 3HG1 VAL 50 3HG2 VAL 50 -14.666 13.880 -2.246 402 1HG2 VAL 50 1HG1 VAL 50 -14.001 12.513 -0.979 403 2HG2 VAL 50 2HG1 VAL 50 -14.247 10.771 -1.095 404 3HG2 VAL 50 3HG1 VAL 50 -15.404 11.770 -0.214 405 H GLU 51 H GLU 51 -19.560 11.702 -2.410 406 HA GLU 51 HA GLU 51 -19.676 11.104 -5.161 407 1HB GLU 51 1HB GLU 51 -22.101 11.824 -4.904 408 2HB GLU 51 2HB GLU 51 -21.555 10.534 -3.848 409 1HG GLU 51 2HG GLU 51 -22.954 12.097 -2.647 410 2HG GLU 51 1HG GLU 51 -21.309 12.120 -2.017 411 H GLU 52 H GLU 52 -21.693 13.044 -5.977 412 HA GLU 52 HA GLU 52 -20.327 15.604 -6.024 413 1HB GLU 52 2HB GLU 52 -20.748 13.936 -8.506 414 2HB GLU 52 1HB GLU 52 -20.430 15.663 -8.548 415 1HG GLU 52 1HG GLU 52 -18.594 13.603 -7.348 416 2HG GLU 52 2HG GLU 52 -18.430 14.294 -8.961 417 H ARG 53 H ARG 53 -23.001 13.628 -7.248 418 HA ARG 53 HA ARG 53 -24.688 15.684 -8.083 419 1HB ARG 53 2HB ARG 53 -25.388 12.975 -6.941 420 2HB ARG 53 1HB ARG 53 -26.525 14.035 -7.764 421 1HG ARG 53 1HG ARG 53 -25.212 13.887 -9.806 422 2HG ARG 53 2HG ARG 53 -24.035 12.858 -8.985 423 1HD ARG 53 2HD ARG 53 -26.949 12.198 -9.397 424 2HD ARG 53 1HD ARG 53 -25.615 11.567 -10.360 425 HE ARG 53 HE ARG 53 -26.502 10.559 -7.893 426 1HH1 ARG 53 1HH1 ARG 53 -23.544 11.291 -9.590 427 2HH1 ARG 53 2HH1 ARG 53 -22.617 10.093 -8.750 428 1HH2 ARG 53 1HH2 ARG 53 -25.286 8.981 -6.787 429 2HH2 ARG 53 2HH2 ARG 53 -23.607 8.780 -7.159 430 H THR 54 H THR 54 -24.490 14.087 -4.908 431 HA THR 54 HA THR 54 -26.560 15.547 -3.688 432 HB THR 54 HB THR 54 -24.127 14.313 -2.375 433 HG1 THR 54 1HG THR 54 -25.271 12.466 -2.343 434 1HG2 THR 54 1HG2 THR 54 -26.809 14.820 -1.109 435 2HG2 THR 54 2HG2 THR 54 -25.508 16.007 -1.047 436 3HG2 THR 54 3HG2 THR 54 -25.282 14.414 -0.325 437 H ARG 55 H ARG 55 -26.636 17.490 -2.693 438 HA ARG 55 HA ARG 55 -24.403 18.935 -1.757 439 1HB ARG 55 1HB ARG 55 -24.403 20.757 -3.444 440 2HB ARG 55 2HB ARG 55 -23.839 19.219 -4.088 441 1HG ARG 55 2HG ARG 55 -26.104 18.849 -5.033 442 2HG ARG 55 1HG ARG 55 -26.544 20.471 -4.498 443 1HD ARG 55 2HD ARG 55 -24.318 19.792 -6.412 444 2HD ARG 55 1HD ARG 55 -25.898 20.432 -6.860 445 HE ARG 55 HE ARG 55 -24.737 22.174 -5.006 446 1HH1 ARG 55 1HH1 ARG 55 -24.247 21.072 -8.275 447 2HH1 ARG 55 2HH1 ARG 55 -23.505 22.546 -8.799 448 1HH2 ARG 55 1HH2 ARG 55 -23.760 24.119 -5.688 449 2HH2 ARG 55 2HH2 ARG 55 -23.228 24.278 -7.327 450 H LYS 56 H LYS 56 -25.017 20.670 -0.533 451 HA LYS 56 HA LYS 56 -27.819 20.913 0.048 452 1HB LYS 56 1HB LYS 56 -26.045 21.001 1.793 453 2HB LYS 56 2HB LYS 56 -25.500 22.531 1.120 454 1HG LYS 56 1HG LYS 56 -27.665 23.535 1.644 455 2HG LYS 56 2HG LYS 56 -28.210 22.000 2.322 456 1HD LYS 56 2HD LYS 56 -26.446 22.107 4.005 457 2HD LYS 56 1HD LYS 56 -25.874 23.629 3.319 458 1HE LYS 56 1HE LYS 56 -27.247 24.022 5.295 459 2HE LYS 56 2HE LYS 56 -28.011 24.681 3.849 460 1HZ LYS 56 1HZ LYS 56 -29.445 23.361 5.473 461 2HZ LYS 56 2HZ LYS 56 -28.697 21.985 4.836 462 3HZ LYS 56 3HZ LYS 56 -29.595 23.003 3.825 463 H LEU 57 H LEU 57 -27.598 21.615 -2.537 464 HA LEU 57 HA LEU 57 -28.427 24.394 -2.501 465 1HB LEU 57 1HB LEU 57 -26.146 23.417 -4.222 466 2HB LEU 57 2HB LEU 57 -26.985 24.934 -4.476 467 HG LEU 57 HG LEU 57 -25.470 24.236 -1.961 468 1HD1 LEU 57 1HD2 LEU 57 -23.659 25.506 -2.749 469 2HD1 LEU 57 2HD2 LEU 57 -24.586 26.138 -4.110 470 3HD1 LEU 57 3HD2 LEU 57 -24.097 24.444 -4.087 471 1HD2 LEU 57 1HD1 LEU 57 -25.669 26.616 -1.474 472 2HD2 LEU 57 2HD1 LEU 57 -27.259 25.867 -1.636 473 3HD2 LEU 57 3HD1 LEU 57 -26.606 26.848 -2.949 474 H SER 1 1HT SER 1 -12.204 -11.204 0.583 475 HA SER 1 HA SER 1 -12.869 -9.611 -0.769 476 1HB SER 1 2HB SER 1 -12.646 -8.094 1.192 477 2HB SER 1 1HB SER 1 -10.990 -7.742 0.701 478 HG SER 1 HG SER 1 -12.837 -7.407 -1.298 479 H GLU 2 H GLU 2 -10.809 -7.329 -1.449 480 HA GLU 2 HA GLU 2 -9.679 -8.762 -3.693 481 1HB GLU 2 1HB GLU 2 -10.742 -6.575 -4.034 482 2HB GLU 2 2HB GLU 2 -9.545 -5.829 -2.984 483 1HG GLU 2 1HG GLU 2 -9.011 -5.446 -5.315 484 2HG GLU 2 2HG GLU 2 -7.780 -6.447 -4.548 485 H ALA 3 H ALA 3 -8.539 -7.178 -0.765 486 HA ALA 3 HA ALA 3 -5.754 -7.352 -1.486 487 1HB ALA 3 1HB ALA 3 -6.949 -6.877 1.244 488 2HB ALA 3 2HB ALA 3 -6.659 -5.613 0.051 489 3HB ALA 3 3HB ALA 3 -5.303 -6.515 0.725 490 H LEU 4 H LEU 4 -8.081 -9.346 -0.058 491 HA LEU 4 HA LEU 4 -6.242 -11.146 1.232 492 1HB LEU 4 1HB LEU 4 -9.207 -11.340 0.708 493 2HB LEU 4 2HB LEU 4 -8.293 -12.366 1.801 494 HG LEU 4 HG LEU 4 -9.367 -10.814 3.203 495 1HD1 LEU 4 1HD1 LEU 4 -7.485 -9.215 3.885 496 2HD1 LEU 4 2HD1 LEU 4 -6.551 -10.000 2.612 497 3HD1 LEU 4 3HD1 LEU 4 -7.169 -10.950 3.964 498 1HD2 LEU 4 1HD2 LEU 4 -9.731 -8.554 2.786 499 2HD2 LEU 4 2HD2 LEU 4 -9.912 -9.287 1.193 500 3HD2 LEU 4 3HD2 LEU 4 -8.416 -8.454 1.613 501 H LYS 5 H LYS 5 -8.250 -10.993 -1.613 502 HA LYS 5 HA LYS 5 -7.546 -13.633 -2.536 503 1HB LYS 5 2HB LYS 5 -9.804 -12.739 -2.898 504 2HB LYS 5 1HB LYS 5 -9.131 -11.448 -3.884 505 1HG LYS 5 1HG LYS 5 -10.114 -13.352 -5.155 506 2HG LYS 5 2HG LYS 5 -8.439 -12.975 -5.564 507 1HD LYS 5 2HD LYS 5 -7.677 -14.786 -4.121 508 2HD LYS 5 1HD LYS 5 -9.350 -15.159 -3.695 509 1HE LYS 5 1HE LYS 5 -8.516 -16.689 -5.407 510 2HE LYS 5 2HE LYS 5 -9.837 -15.696 -6.026 511 1HZ LYS 5 1HZ LYS 5 -7.712 -16.022 -7.435 512 2HZ LYS 5 2HZ LYS 5 -7.054 -14.832 -6.429 513 3HZ LYS 5 3HZ LYS 5 -8.427 -14.490 -7.357 514 H ILE 6 H ILE 6 -6.478 -10.375 -3.029 515 HA ILE 6 HA ILE 6 -5.316 -10.505 -5.540 516 HB ILE 6 HB ILE 6 -5.467 -8.419 -4.265 517 1HG1 ILE 6 1HG1 ILE 6 -3.588 -8.977 -5.990 518 2HG1 ILE 6 2HG1 ILE 6 -3.517 -7.468 -5.091 519 1HG2 ILE 6 1HG2 ILE 6 -4.943 -9.502 -2.073 520 2HG2 ILE 6 2HG2 ILE 6 -4.168 -7.943 -2.355 521 3HG2 ILE 6 3HG2 ILE 6 -3.241 -9.433 -2.529 522 1HD1 ILE 6 1HD1 ILE 6 -2.146 -9.753 -3.855 523 2HD1 ILE 6 2HD1 ILE 6 -1.636 -8.073 -4.024 524 3HD1 ILE 6 3HD1 ILE 6 -1.462 -9.188 -5.379 525 H LEU 7 H LEU 7 -3.996 -11.286 -2.394 526 HA LEU 7 HA LEU 7 -1.706 -12.580 -3.647 527 1HB LEU 7 1HB LEU 7 -0.495 -11.983 -1.845 528 2HB LEU 7 2HB LEU 7 -1.816 -10.874 -1.528 529 HG LEU 7 HG LEU 7 -2.787 -12.908 -0.160 530 1HD1 LEU 7 1HD1 LEU 7 -0.199 -13.860 -0.896 531 2HD1 LEU 7 2HD1 LEU 7 -1.446 -14.660 0.060 532 3HD1 LEU 7 3HD1 LEU 7 -0.253 -13.625 0.853 533 1HD2 LEU 7 1HD2 LEU 7 -0.794 -10.832 0.547 534 2HD2 LEU 7 2HD2 LEU 7 -1.176 -12.059 1.755 535 3HD2 LEU 7 3HD2 LEU 7 -2.459 -11.047 1.090 536 H ASN 8 H ASN 8 -4.729 -13.191 -2.383 537 HA ASN 8 HA ASN 8 -5.889 -15.119 -1.974 538 1HB ASN 8 1HB ASN 8 -3.391 -16.552 -2.909 539 2HB ASN 8 2HB ASN 8 -5.002 -17.252 -2.760 540 1HD2 ASN 8 2HD2 ASN 8 -2.836 -16.059 -4.885 541 2HD2 ASN 8 1HD2 ASN 8 -3.908 -15.580 -6.166 542 H ASN 9 H ASN 9 -4.187 -13.845 0.033 543 HA ASN 9 HA ASN 9 -3.547 -14.124 2.188 544 1HB ASN 9 2HB ASN 9 -5.067 -16.723 1.907 545 2HB ASN 9 1HB ASN 9 -4.506 -16.043 3.433 546 1HD2 ASN 9 1HD2 ASN 9 -5.329 -13.458 1.558 547 2HD2 ASN 9 2HD2 ASN 9 -6.963 -13.254 2.075 548 H ILE 10 H ILE 10 -1.645 -14.621 3.063 549 HA ILE 10 HA ILE 10 0.317 -16.070 1.739 550 HB ILE 10 HB ILE 10 1.644 -15.968 3.773 551 1HG1 ILE 10 2HG1 ILE 10 -0.238 -16.465 5.361 552 2HG1 ILE 10 1HG1 ILE 10 0.795 -15.132 5.859 553 1HG2 ILE 10 1HG2 ILE 10 1.115 -13.373 4.173 554 2HG2 ILE 10 2HG2 ILE 10 0.207 -13.635 2.684 555 3HG2 ILE 10 3HG2 ILE 10 1.936 -13.991 2.737 556 1HD1 ILE 10 1HD1 ILE 10 -2.031 -15.176 5.407 557 2HD1 ILE 10 2HD1 ILE 10 -1.262 -13.960 4.387 558 3HD1 ILE 10 3HD1 ILE 10 -1.028 -13.922 6.135 559 H ARG 11 H ARG 11 -2.133 -17.203 3.933 560 HA ARG 11 HA ARG 11 -0.925 -19.608 4.748 561 1HB ARG 11 2HB ARG 11 -3.256 -20.366 5.204 562 2HB ARG 11 1HB ARG 11 -2.871 -18.798 5.899 563 1HG ARG 11 2HG ARG 11 -4.017 -17.715 3.992 564 2HG ARG 11 1HG ARG 11 -4.479 -19.315 3.406 565 1HD ARG 11 1HD ARG 11 -5.686 -19.731 5.493 566 2HD ARG 11 2HD ARG 11 -5.222 -18.136 6.082 567 HE ARG 11 HE ARG 11 -6.983 -17.296 4.922 568 1HH1 ARG 11 1HH1 ARG 11 -6.018 -20.281 3.403 569 2HH1 ARG 11 2HH1 ARG 11 -7.273 -20.228 2.211 570 1HH2 ARG 11 1HH2 ARG 11 -8.638 -17.221 3.357 571 2HH2 ARG 11 2HH2 ARG 11 -8.761 -18.489 2.185 572 H THR 12 H THR 12 -3.202 -18.990 2.073 573 HA THR 12 HA THR 12 -3.071 -21.645 1.054 574 HB THR 12 HB THR 12 -3.951 -19.094 -0.313 575 HG1 THR 12 1HG THR 12 -6.021 -20.552 0.196 576 1HG2 THR 12 1HG2 THR 12 -5.250 -20.744 -1.751 577 2HG2 THR 12 2HG2 THR 12 -4.181 -21.989 -1.103 578 3HG2 THR 12 3HG2 THR 12 -3.511 -20.651 -2.035 579 H LEU 13 H LEU 13 -1.369 -18.654 0.373 580 HA LEU 13 HA LEU 13 -0.062 -19.475 -1.975 581 1HB LEU 13 1HB LEU 13 -0.111 -17.168 -1.544 582 2HB LEU 13 2HB LEU 13 0.534 -17.372 0.076 583 HG LEU 13 HG LEU 13 2.717 -17.866 -0.772 584 1HD1 LEU 13 1HD2 LEU 13 2.289 -19.233 -2.634 585 2HD1 LEU 13 2HD2 LEU 13 3.113 -17.802 -3.264 586 3HD1 LEU 13 3HD2 LEU 13 1.366 -17.967 -3.450 587 1HD2 LEU 13 1HD1 LEU 13 2.604 -15.746 -2.587 588 2HD2 LEU 13 2HD1 LEU 13 3.008 -15.679 -0.870 589 3HD2 LEU 13 3HD1 LEU 13 1.342 -15.433 -1.396 590 H ARG 14 H ARG 14 1.175 -19.299 1.353 591 HA ARG 14 HA ARG 14 3.702 -20.236 1.044 592 1HB ARG 14 2HB ARG 14 2.720 -19.529 3.194 593 2HB ARG 14 1HB ARG 14 1.785 -21.017 3.252 594 1HG ARG 14 1HG ARG 14 3.668 -21.249 4.695 595 2HG ARG 14 2HG ARG 14 3.918 -22.287 3.291 596 1HD ARG 14 2HD ARG 14 5.370 -20.596 2.295 597 2HD ARG 14 1HD ARG 14 5.114 -19.549 3.689 598 HE ARG 14 HE ARG 14 6.763 -20.705 4.737 599 1HH1 ARG 14 1HH1 ARG 14 5.336 -22.796 2.344 600 2HH1 ARG 14 2HH1 ARG 14 6.400 -24.121 2.681 601 1HH2 ARG 14 1HH2 ARG 14 8.170 -22.440 5.185 602 2HH2 ARG 14 2HH2 ARG 14 8.010 -23.919 4.297 603 H ALA 15 H ALA 15 0.757 -22.025 0.743 604 HA ALA 15 HA ALA 15 2.073 -24.611 0.783 605 1HB ALA 15 1HB ALA 15 -0.221 -24.174 1.713 606 2HB ALA 15 2HB ALA 15 -0.082 -25.551 0.619 607 3HB ALA 15 3HB ALA 15 -0.775 -24.034 0.045 608 H GLN 16 H GLN 16 0.229 -22.686 -1.590 609 HA GLN 16 HA GLN 16 0.614 -24.482 -3.740 610 1HB GLN 16 2HB GLN 16 -0.231 -22.767 -5.157 611 2HB GLN 16 1HB GLN 16 -1.068 -22.574 -3.622 612 1HG GLN 16 1HG GLN 16 0.439 -20.766 -3.012 613 2HG GLN 16 2HG GLN 16 1.314 -20.971 -4.525 614 1HE2 GLN 16 1HE2 GLN 16 -0.662 -18.961 -3.093 615 2HE2 GLN 16 2HE2 GLN 16 -1.613 -18.402 -4.431 616 H ALA 17 H ALA 17 2.440 -21.844 -2.471 617 HA ALA 17 HA ALA 17 4.392 -21.868 -4.600 618 1HB ALA 17 1HB ALA 17 5.406 -20.272 -2.614 619 2HB ALA 17 2HB ALA 17 3.658 -20.094 -2.420 620 3HB ALA 17 3HB ALA 17 4.417 -19.735 -3.974 621 H ARG 18 H ARG 18 3.866 -23.361 -1.572 622 HA ARG 18 HA ARG 18 6.306 -23.751 -0.444 623 1HB ARG 18 2HB ARG 18 4.209 -24.721 0.392 624 2HB ARG 18 1HB ARG 18 4.212 -25.872 -0.935 625 1HG ARG 18 1HG ARG 18 6.268 -26.862 -0.077 626 2HG ARG 18 2HG ARG 18 6.263 -25.705 1.258 627 1HD ARG 18 2HD ARG 18 4.100 -26.567 1.989 628 2HD ARG 18 1HD ARG 18 4.113 -27.726 0.662 629 HE ARG 18 HE ARG 18 6.449 -28.062 2.180 630 1HH1 ARG 18 1HH1 ARG 18 3.007 -28.537 2.436 631 2HH1 ARG 18 2HH1 ARG 18 3.142 -29.846 3.561 632 1HH2 ARG 18 1HH2 ARG 18 6.637 -29.785 3.660 633 2HH2 ARG 18 2HH2 ARG 18 5.204 -30.555 4.257 634 H GLU 19 H GLU 19 5.186 -24.929 -3.498 635 HA GLU 19 HA GLU 19 7.697 -26.436 -3.850 636 1HB GLU 19 2HB GLU 19 6.521 -27.677 -5.638 637 2HB GLU 19 1HB GLU 19 5.762 -27.871 -4.064 638 1HG GLU 19 1HG GLU 19 4.065 -26.225 -4.676 639 2HG GLU 19 2HG GLU 19 4.827 -26.029 -6.254 640 H SER 20 H SER 20 7.837 -23.687 -4.148 641 HA SER 20 HA SER 20 8.802 -23.484 -6.824 642 1HB SER 20 1HB SER 20 7.334 -21.650 -7.574 643 2HB SER 20 2HB SER 20 6.427 -23.137 -7.301 644 HG SER 20 HG SER 20 6.367 -20.731 -5.914 645 H THR 21 H THR 21 8.983 -20.822 -7.208 646 HA THR 21 HA THR 21 10.792 -20.012 -5.071 647 HB THR 21 HB THR 21 10.314 -18.723 -7.767 648 HG1 THR 21 1HG THR 21 12.598 -20.233 -7.100 649 1HG2 THR 21 1HG2 THR 21 11.744 -17.835 -5.474 650 2HG2 THR 21 2HG2 THR 21 11.651 -17.085 -7.067 651 3HG2 THR 21 3HG2 THR 21 12.917 -18.263 -6.719 652 H LEU 22 H LEU 22 10.788 -17.763 -4.294 653 HA LEU 22 HA LEU 22 8.275 -16.972 -3.353 654 1HB LEU 22 2HB LEU 22 9.435 -15.609 -2.015 655 2HB LEU 22 1HB LEU 22 10.856 -16.393 -2.678 656 HG LEU 22 HG LEU 22 9.664 -13.851 -3.767 657 1HD1 LEU 22 1HD1 LEU 22 11.947 -14.274 -1.858 658 2HD1 LEU 22 2HD1 LEU 22 10.438 -13.409 -1.554 659 3HD1 LEU 22 3HD1 LEU 22 11.614 -12.758 -2.697 660 1HD2 LEU 22 1HD2 LEU 22 12.472 -14.616 -4.242 661 2HD2 LEU 22 2HD2 LEU 22 11.328 -13.757 -5.278 662 3HD2 LEU 22 3HD2 LEU 22 11.231 -15.514 -5.119 663 H GLU 23 H GLU 23 9.737 -16.489 -6.359 664 HA GLU 23 HA GLU 23 9.162 -14.023 -7.260 665 1HB GLU 23 1HB GLU 23 10.046 -15.828 -8.678 666 2HB GLU 23 2HB GLU 23 8.459 -16.583 -8.711 667 1HG GLU 23 2HG GLU 23 7.551 -14.627 -9.859 668 2HG GLU 23 1HG GLU 23 9.146 -13.877 -9.834 669 H THR 24 H THR 24 6.855 -16.390 -6.229 670 HA THR 24 HA THR 24 4.513 -15.501 -7.424 671 HB THR 24 HB THR 24 4.490 -17.514 -6.097 672 HG1 THR 24 1HG THR 24 2.548 -17.158 -5.117 673 1HG2 THR 24 1HG2 THR 24 4.457 -16.323 -3.453 674 2HG2 THR 24 2HG2 THR 24 5.996 -16.063 -4.275 675 3HG2 THR 24 3HG2 THR 24 5.378 -17.700 -4.056 676 H LEU 25 H LEU 25 6.196 -14.276 -4.547 677 HA LEU 25 HA LEU 25 4.235 -12.346 -3.919 678 1HB LEU 25 1HB LEU 25 6.143 -11.208 -2.657 679 2HB LEU 25 2HB LEU 25 5.611 -12.780 -2.119 680 HG LEU 25 HG LEU 25 7.591 -13.789 -3.249 681 1HD1 LEU 25 1HD2 LEU 25 7.854 -11.159 -4.338 682 2HD1 LEU 25 2HD2 LEU 25 8.791 -12.616 -4.694 683 3HD1 LEU 25 3HD2 LEU 25 9.282 -11.543 -3.380 684 1HD2 LEU 25 1HD1 LEU 25 7.580 -12.014 -0.934 685 2HD2 LEU 25 2HD1 LEU 25 9.185 -12.302 -1.606 686 3HD2 LEU 25 3HD1 LEU 25 8.182 -13.663 -1.100 687 H GLU 26 H GLU 26 7.239 -12.192 -5.810 688 HA GLU 26 HA GLU 26 7.141 -9.455 -6.335 689 1HB GLU 26 2HB GLU 26 9.116 -10.679 -6.910 690 2HB GLU 26 1HB GLU 26 8.222 -11.737 -7.999 691 1HG GLU 26 1HG GLU 26 7.795 -9.834 -9.481 692 2HG GLU 26 2HG GLU 26 8.703 -8.790 -8.389 693 H GLU 27 H GLU 27 5.244 -12.095 -7.428 694 HA GLU 27 HA GLU 27 4.108 -10.668 -9.679 695 1HB GLU 27 2HB GLU 27 4.380 -13.102 -9.792 696 2HB GLU 27 1HB GLU 27 3.323 -13.294 -8.402 697 1HG GLU 27 1HG GLU 27 1.466 -12.354 -9.677 698 2HG GLU 27 2HG GLU 27 2.525 -12.158 -11.072 699 H MET 28 H MET 28 2.814 -11.999 -6.624 700 HA MET 28 HA MET 28 0.480 -10.298 -6.861 701 1HB MET 28 1HB MET 28 -0.365 -11.522 -4.901 702 2HB MET 28 2HB MET 28 0.104 -12.592 -6.214 703 1HG MET 28 1HG MET 28 2.221 -13.051 -5.062 704 2HG MET 28 2HG MET 28 1.704 -12.015 -3.732 705 1HE MET 28 1HE MET 28 0.559 -14.622 -6.069 706 2HE MET 28 2HE MET 28 -0.999 -14.998 -5.335 707 3HE MET 28 3HE MET 28 0.382 -16.061 -5.065 708 H LEU 29 H LEU 29 3.167 -10.743 -4.583 709 HA LEU 29 HA LEU 29 2.367 -8.837 -2.667 710 1HB LEU 29 2HB LEU 29 4.074 -10.390 -2.121 711 2HB LEU 29 1HB LEU 29 5.072 -9.909 -3.469 712 HG LEU 29 HG LEU 29 5.244 -7.628 -2.247 713 1HD1 LEU 29 1HD1 LEU 29 3.469 -8.062 -0.614 714 2HD1 LEU 29 2HD1 LEU 29 5.020 -7.759 0.171 715 3HD1 LEU 29 3HD1 LEU 29 4.405 -9.405 0.040 716 1HD2 LEU 29 1HD2 LEU 29 7.208 -8.824 -2.396 717 2HD2 LEU 29 2HD2 LEU 29 6.553 -10.215 -1.533 718 3HD2 LEU 29 3HD2 LEU 29 6.975 -8.748 -0.649 719 H GLU 30 H GLU 30 3.909 -8.488 -5.776 720 HA GLU 30 HA GLU 30 4.752 -5.786 -5.436 721 1HB GLU 30 1HB GLU 30 5.749 -7.142 -7.177 722 2HB GLU 30 2HB GLU 30 4.180 -7.393 -7.931 723 1HG GLU 30 1HG GLU 30 4.046 -5.001 -8.435 724 2HG GLU 30 2HG GLU 30 5.634 -4.768 -7.704 725 H LYS 31 H LYS 31 1.787 -7.347 -6.458 726 HA LYS 31 HA LYS 31 0.579 -4.843 -7.303 727 1HB LYS 31 2HB LYS 31 -0.877 -7.447 -6.937 728 2HB LYS 31 1HB LYS 31 -1.235 -6.133 -8.052 729 1HG LYS 31 1HG LYS 31 1.100 -8.018 -8.196 730 2HG LYS 31 2HG LYS 31 -0.320 -8.028 -9.244 731 1HD LYS 31 2HD LYS 31 0.284 -5.832 -10.109 732 2HD LYS 31 1HD LYS 31 1.670 -5.768 -9.016 733 1HE LYS 31 1HE LYS 31 2.352 -6.397 -11.273 734 2HE LYS 31 2HE LYS 31 2.652 -7.702 -10.127 735 1HZ LYS 31 1HZ LYS 31 0.065 -7.893 -11.322 736 2HZ LYS 31 2HZ LYS 31 1.298 -9.046 -11.238 737 3HZ LYS 31 3HZ LYS 31 1.293 -7.905 -12.487 738 H LEU 32 H LEU 32 0.724 -6.926 -4.580 739 HA LEU 32 HA LEU 32 -1.548 -5.960 -3.193 740 1HB LEU 32 1HB LEU 32 -0.310 -8.098 -2.742 741 2HB LEU 32 2HB LEU 32 0.962 -7.131 -2.017 742 HG LEU 32 HG LEU 32 -0.462 -6.376 -0.269 743 1HD1 LEU 32 1HD2 LEU 32 -2.877 -7.682 -0.479 744 2HD1 LEU 32 2HD2 LEU 32 -2.571 -7.111 -2.118 745 3HD1 LEU 32 3HD2 LEU 32 -2.586 -5.969 -0.775 746 1HD2 LEU 32 1HD1 LEU 32 -0.957 -9.310 -0.704 747 2HD2 LEU 32 2HD1 LEU 32 -1.073 -8.447 0.829 748 3HD2 LEU 32 3HD1 LEU 32 0.485 -8.601 0.021 749 H GLU 33 H GLU 33 1.670 -4.851 -3.720 750 HA GLU 33 HA GLU 33 1.524 -2.903 -1.561 751 1HB GLU 33 2HB GLU 33 3.753 -2.416 -1.956 752 2HB GLU 33 1HB GLU 33 3.662 -4.117 -2.371 753 1HG GLU 33 2HG GLU 33 4.959 -3.218 -4.058 754 2HG GLU 33 1HG GLU 33 3.360 -3.298 -4.788 755 H VAL 34 H VAL 34 1.159 -3.082 -5.062 756 HA VAL 34 HA VAL 34 1.051 -0.268 -5.477 757 HB VAL 34 HB VAL 34 0.196 -0.679 -7.667 758 1HG1 VAL 34 1HG1 VAL 34 2.323 -1.160 -8.091 759 2HG1 VAL 34 2HG1 VAL 34 1.811 -2.848 -8.143 760 3HG1 VAL 34 3HG1 VAL 34 2.471 -2.172 -6.655 761 1HG2 VAL 34 1HG2 VAL 34 -0.015 -3.538 -7.709 762 2HG2 VAL 34 2HG2 VAL 34 -1.194 -2.318 -8.187 763 3HG2 VAL 34 3HG2 VAL 34 -1.114 -2.858 -6.510 764 H VAL 35 H VAL 35 -1.344 -2.755 -4.724 765 HA VAL 35 HA VAL 35 -3.663 -1.247 -5.163 766 HB VAL 35 HB VAL 35 -4.713 -2.621 -3.322 767 1HG1 VAL 35 1HG2 VAL 35 -3.983 -4.876 -4.606 768 2HG1 VAL 35 2HG2 VAL 35 -3.501 -3.654 -5.786 769 3HG1 VAL 35 3HG2 VAL 35 -5.171 -3.724 -5.217 770 1HG2 VAL 35 1HG1 VAL 35 -1.950 -3.789 -3.197 771 2HG2 VAL 35 2HG1 VAL 35 -3.385 -4.553 -2.513 772 3HG2 VAL 35 3HG1 VAL 35 -2.841 -2.990 -1.901 773 H VAL 36 H VAL 36 -1.559 -1.509 -2.311 774 HA VAL 36 HA VAL 36 -3.064 0.544 -0.945 775 HB VAL 36 HB VAL 36 -0.690 0.373 0.436 776 1HG1 VAL 36 1HG2 VAL 36 -2.877 -1.473 1.169 777 2HG1 VAL 36 2HG2 VAL 36 -3.265 0.243 1.002 778 3HG1 VAL 36 3HG2 VAL 36 -2.021 -0.278 2.143 779 1HG2 VAL 36 1HG1 VAL 36 -0.166 -1.602 -1.105 780 2HG2 VAL 36 2HG1 VAL 36 -1.401 -2.464 -0.188 781 3HG2 VAL 36 3HG1 VAL 36 0.027 -1.831 0.635 782 H ASN 37 H ASN 37 -0.282 0.344 -3.008 783 HA ASN 37 HA ASN 37 1.114 2.645 -2.438 784 1HB ASN 37 2HB ASN 37 1.559 0.980 -4.307 785 2HB ASN 37 1HB ASN 37 0.326 1.818 -5.243 786 1HD2 ASN 37 2HD2 ASN 37 3.479 1.486 -5.000 787 2HD2 ASN 37 1HD2 ASN 37 4.019 3.068 -5.468 788 H GLU 38 H GLU 38 -1.895 2.209 -4.153 789 HA GLU 38 HA GLU 38 -2.281 5.062 -4.544 790 1HB GLU 38 2HB GLU 38 -4.114 2.727 -5.114 791 2HB GLU 38 1HB GLU 38 -4.417 4.394 -5.580 792 1HG GLU 38 1HG GLU 38 -2.424 4.357 -6.998 793 2HG GLU 38 2HG GLU 38 -2.137 2.678 -6.539 794 H ARG 39 H ARG 39 -3.754 2.415 -2.694 795 HA ARG 39 HA ARG 39 -5.648 4.053 -1.340 796 1HB ARG 39 1HB ARG 39 -4.647 1.265 -1.043 797 2HB ARG 39 2HB ARG 39 -5.509 1.986 0.299 798 1HG ARG 39 2HG ARG 39 -7.142 0.841 -0.874 799 2HG ARG 39 1HG ARG 39 -7.339 2.514 -1.401 800 1HD ARG 39 2HD ARG 39 -6.018 2.038 -3.399 801 2HD ARG 39 1HD ARG 39 -5.840 0.364 -2.875 802 HE ARG 39 HE ARG 39 -7.817 -0.006 -3.924 803 1HH1 ARG 39 1HH1 ARG 39 -7.917 3.205 -2.565 804 2HH1 ARG 39 2HH1 ARG 39 -9.520 3.529 -3.137 805 1HH2 ARG 39 1HH2 ARG 39 -9.926 0.418 -4.671 806 2HH2 ARG 39 2HH2 ARG 39 -10.659 1.949 -4.330 807 H ARG 40 H ARG 40 -2.744 2.404 -0.147 808 HA ARG 40 HA ARG 40 -2.630 3.369 2.403 809 1HB ARG 40 1HB ARG 40 -1.032 1.751 1.396 810 2HB ARG 40 2HB ARG 40 -0.223 3.082 0.582 811 1HG ARG 40 1HG ARG 40 0.940 2.304 2.616 812 2HG ARG 40 2HG ARG 40 0.474 4.009 2.685 813 1HD ARG 40 2HD ARG 40 -1.538 3.347 3.988 814 2HD ARG 40 1HD ARG 40 -0.936 1.691 4.001 815 HE ARG 40 HE ARG 40 0.396 2.285 5.741 816 1HH1 ARG 40 1HH1 ARG 40 -0.300 5.154 3.885 817 2HH1 ARG 40 2HH1 ARG 40 0.574 6.207 4.946 818 1HH2 ARG 40 1HH2 ARG 40 1.547 3.666 7.141 819 2HH2 ARG 40 2HH2 ARG 40 1.625 5.362 6.797 820 H GLU 41 H GLU 41 -1.662 5.089 -0.532 821 HA GLU 41 HA GLU 41 -0.760 7.390 0.990 822 1HB GLU 41 1HB GLU 41 -0.996 6.941 -1.984 823 2HB GLU 41 2HB GLU 41 -0.296 8.371 -1.239 824 1HG GLU 41 2HG GLU 41 0.731 5.565 -0.881 825 2HG GLU 41 1HG GLU 41 1.387 6.750 -2.008 826 H GLU 42 H GLU 42 -3.451 6.714 -1.268 827 HA GLU 42 HA GLU 42 -4.515 9.367 -0.995 828 1HB GLU 42 2HB GLU 42 -4.758 8.109 -3.085 829 2HB GLU 42 1HB GLU 42 -5.732 6.905 -2.251 830 1HG GLU 42 1HG GLU 42 -7.434 8.587 -1.793 831 2HG GLU 42 2HG GLU 42 -6.455 9.805 -2.610 832 H GLU 43 H GLU 43 -5.331 6.199 0.277 833 HA GLU 43 HA GLU 43 -7.792 6.753 1.414 834 1HB GLU 43 1HB GLU 43 -6.404 4.540 1.278 835 2HB GLU 43 2HB GLU 43 -5.826 5.031 2.865 836 1HG GLU 43 2HG GLU 43 -8.689 4.563 2.073 837 2HG GLU 43 1HG GLU 43 -7.690 3.514 3.074 838 H SER 44 H SER 44 -4.541 7.100 2.819 839 HA SER 44 HA SER 44 -5.323 8.083 5.325 840 1HB SER 44 1HB SER 44 -2.842 8.784 3.723 841 2HB SER 44 2HB SER 44 -3.056 9.059 5.452 842 HG SER 44 HG SER 44 -2.036 6.957 4.415 843 H ALA 45 H ALA 45 -4.898 9.564 2.207 844 HA ALA 45 HA ALA 45 -5.158 12.274 2.956 845 1HB ALA 45 1HB ALA 45 -5.195 10.697 0.473 846 2HB ALA 45 2HB ALA 45 -4.389 12.227 0.836 847 3HB ALA 45 3HB ALA 45 -6.102 12.213 0.412 848 H ALA 46 H ALA 46 -7.482 9.791 1.979 849 HA ALA 46 HA ALA 46 -9.771 11.422 1.858 850 1HB ALA 46 1HB ALA 46 -11.029 9.298 2.101 851 2HB ALA 46 2HB ALA 46 -9.508 8.473 2.448 852 3HB ALA 46 3HB ALA 46 -9.767 9.219 0.871 853 H ALA 47 H ALA 47 -8.308 9.573 4.491 854 HA ALA 47 HA ALA 47 -10.321 9.987 6.410 855 1HB ALA 47 1HB ALA 47 -7.694 8.852 6.333 856 2HB ALA 47 2HB ALA 47 -8.999 8.558 7.483 857 3HB ALA 47 3HB ALA 47 -7.855 9.871 7.763 858 H ALA 48 H ALA 48 -7.399 11.827 5.631 859 HA ALA 48 HA ALA 48 -7.682 13.759 7.677 860 1HB ALA 48 1HB ALA 48 -5.730 14.509 6.902 861 2HB ALA 48 2HB ALA 48 -6.384 14.766 5.285 862 3HB ALA 48 3HB ALA 48 -5.787 13.174 5.751 863 H GLU 49 H GLU 49 -8.801 13.609 4.340 864 HA GLU 49 HA GLU 49 -9.752 16.217 4.067 865 1HB GLU 49 1HB GLU 49 -9.536 14.678 2.180 866 2HB GLU 49 2HB GLU 49 -10.814 13.666 2.839 867 1HG GLU 49 2HG GLU 49 -11.649 15.031 1.026 868 2HG GLU 49 1HG GLU 49 -12.412 15.489 2.548 869 H VAL 50 H VAL 50 -11.276 13.346 5.441 870 HA VAL 50 HA VAL 50 -13.882 14.269 5.708 871 HB VAL 50 HB VAL 50 -12.364 12.471 7.605 872 1HG1 VAL 50 1HG2 VAL 50 -14.809 13.636 8.045 873 2HG1 VAL 50 2HG2 VAL 50 -14.236 12.141 8.785 874 3HG1 VAL 50 3HG2 VAL 50 -15.243 12.080 7.338 875 1HG2 VAL 50 1HG1 VAL 50 -14.210 11.071 5.974 876 2HG2 VAL 50 2HG1 VAL 50 -12.453 10.934 6.010 877 3HG2 VAL 50 3HG1 VAL 50 -13.225 12.089 4.923 878 H GLU 51 H GLU 51 -11.140 14.652 7.931 879 HA GLU 51 HA GLU 51 -10.788 16.016 9.716 880 1HB GLU 51 1HB GLU 51 -11.194 17.660 7.797 881 2HB GLU 51 2HB GLU 51 -12.806 17.874 8.459 882 1HG GLU 51 1HG GLU 51 -11.853 18.658 10.559 883 2HG GLU 51 2HG GLU 51 -10.229 18.419 9.917 884 H GLU 52 H GLU 52 -13.151 17.949 10.490 885 HA GLU 52 HA GLU 52 -15.315 16.436 11.370 886 1HB GLU 52 2HB GLU 52 -13.650 15.239 12.731 887 2HB GLU 52 1HB GLU 52 -13.164 16.756 13.473 888 1HG GLU 52 1HG GLU 52 -14.618 15.501 14.945 889 2HG GLU 52 2HG GLU 52 -15.386 17.005 14.442 890 H ARG 53 H ARG 53 -13.091 19.036 12.290 891 HA ARG 53 HA ARG 53 -14.898 20.587 13.760 892 1HB ARG 53 1HB ARG 53 -12.494 21.433 12.137 893 2HB ARG 53 2HB ARG 53 -13.370 22.500 13.224 894 1HG ARG 53 2HG ARG 53 -11.453 21.742 14.381 895 2HG ARG 53 1HG ARG 53 -12.838 20.900 15.078 896 1HD ARG 53 1HD ARG 53 -12.320 18.920 13.771 897 2HD ARG 53 2HD ARG 53 -10.974 19.759 12.999 898 HE ARG 53 HE ARG 53 -10.597 19.838 15.771 899 1HH1 ARG 53 1HH1 ARG 53 -10.637 17.530 13.162 900 2HH1 ARG 53 2HH1 ARG 53 -9.514 16.455 13.924 901 1HH2 ARG 53 1HH2 ARG 53 -9.117 18.430 16.781 902 2HH2 ARG 53 2HH2 ARG 53 -8.650 16.966 15.983 903 H THR 54 H THR 54 -13.976 20.851 10.328 904 HA THR 54 HA THR 54 -15.751 22.956 9.728 905 HB THR 54 HB THR 54 -15.411 22.335 7.357 906 HG1 THR 54 1HG THR 54 -13.728 20.551 7.167 907 1HG2 THR 54 1HG2 THR 54 -13.129 22.648 9.248 908 2HG2 THR 54 2HG2 THR 54 -13.726 23.754 8.011 909 3HG2 THR 54 3HG2 THR 54 -12.781 22.339 7.548 910 H ARG 55 H ARG 55 -17.801 23.017 8.963 911 HA ARG 55 HA ARG 55 -19.253 20.794 8.002 912 1HB ARG 55 1HB ARG 55 -20.799 20.484 9.894 913 2HB ARG 55 2HB ARG 55 -19.149 20.043 10.316 914 1HG ARG 55 1HG ARG 55 -18.900 22.304 11.356 915 2HG ARG 55 2HG ARG 55 -20.628 22.546 11.089 916 1HD ARG 55 1HD ARG 55 -21.075 20.507 12.417 917 2HD ARG 55 2HD ARG 55 -19.347 20.384 12.748 918 HE ARG 55 HE ARG 55 -20.206 22.932 13.512 919 1HH1 ARG 55 1HH1 ARG 55 -20.637 19.602 14.444 920 2HH1 ARG 55 2HH1 ARG 55 -20.944 19.973 16.108 921 1HH2 ARG 55 1HH2 ARG 55 -20.607 23.428 15.701 922 2HH2 ARG 55 2HH2 ARG 55 -20.926 22.148 16.821 923 H LYS 56 H LYS 56 -18.787 23.526 7.331 924 HA LYS 56 HA LYS 56 -19.916 25.232 6.343 925 1HB LYS 56 2HB LYS 56 -21.582 23.579 5.645 926 2HB LYS 56 1HB LYS 56 -22.401 23.734 7.194 927 1HG LYS 56 2HG LYS 56 -23.581 24.974 5.491 928 2HG LYS 56 1HG LYS 56 -22.897 26.082 6.683 929 1HD LYS 56 2HD LYS 56 -21.017 26.534 5.171 930 2HD LYS 56 1HD LYS 56 -21.726 25.446 3.975 931 1HE LYS 56 1HE LYS 56 -22.985 27.973 5.038 932 2HE LYS 56 2HE LYS 56 -22.223 27.782 3.461 933 1HZ LYS 56 1HZ LYS 56 -23.897 26.182 2.853 934 2HZ LYS 56 2HZ LYS 56 -24.647 27.610 3.358 935 3HZ LYS 56 3HZ LYS 56 -24.603 26.270 4.388 936 H LEU 57 H LEU 57 -21.618 24.304 9.349 937 HA LEU 57 HA LEU 57 -22.285 26.963 10.047 938 1HB LEU 57 1HB LEU 57 -22.125 24.446 11.702 939 2HB LEU 57 2HB LEU 57 -22.702 25.977 12.329 940 HG LEU 57 HG LEU 57 -24.519 25.938 10.620 941 1HD1 LEU 57 1HD2 LEU 57 -24.158 24.596 8.867 942 2HD1 LEU 57 2HD2 LEU 57 -24.771 23.316 9.914 943 3HD1 LEU 57 3HD2 LEU 57 -23.032 23.572 9.761 944 1HD2 LEU 57 1HD1 LEU 57 -25.401 23.589 11.749 945 2HD2 LEU 57 2HD1 LEU 57 -25.561 25.199 12.449 946 3HD2 LEU 57 3HD1 LEU 57 -24.205 24.170 12.907 Start of MODEL 8 1 H SER 1 1HT SER 1 3.704 3.995 -0.452 2 HA SER 1 HA SER 1 6.210 4.657 -0.531 3 1HB SER 1 2HB SER 1 5.029 6.445 1.611 4 2HB SER 1 1HB SER 1 6.751 6.178 1.346 5 HG SER 1 HG SER 1 6.326 6.982 -0.850 6 H GLU 2 H GLU 2 3.667 4.215 1.872 7 HA GLU 2 HA GLU 2 5.256 2.631 3.634 8 1HB GLU 2 2HB GLU 2 3.320 3.920 4.425 9 2HB GLU 2 1HB GLU 2 2.253 2.923 3.448 10 1HG GLU 2 1HG GLU 2 2.144 2.212 5.735 11 2HG GLU 2 2HG GLU 2 2.918 0.957 4.768 12 H ALA 3 H ALA 3 3.259 1.994 0.865 13 HA ALA 3 HA ALA 3 3.069 -0.849 1.363 14 1HB ALA 3 1HB ALA 3 1.851 -0.962 -0.696 15 2HB ALA 3 2HB ALA 3 2.390 0.653 -1.159 16 3HB ALA 3 3HB ALA 3 1.284 0.447 0.200 17 H LEU 4 H LEU 4 5.138 1.334 -0.242 18 HA LEU 4 HA LEU 4 6.439 -0.644 -1.887 19 1HB LEU 4 1HB LEU 4 7.128 2.230 -1.272 20 2HB LEU 4 2HB LEU 4 7.882 1.252 -2.520 21 HG LEU 4 HG LEU 4 6.342 2.597 -3.674 22 1HD1 LEU 4 1HD1 LEU 4 6.093 0.437 -4.522 23 2HD1 LEU 4 2HD1 LEU 4 4.440 0.989 -4.249 24 3HD1 LEU 4 3HD1 LEU 4 5.204 -0.112 -3.101 25 1HD2 LEU 4 1HD2 LEU 4 4.347 1.968 -1.496 26 2HD2 LEU 4 2HD2 LEU 4 3.981 2.859 -2.974 27 3HD2 LEU 4 3HD2 LEU 4 5.127 3.520 -1.809 28 H LYS 5 H LYS 5 6.890 1.044 1.091 29 HA LYS 5 HA LYS 5 9.542 0.022 1.581 30 1HB LYS 5 2HB LYS 5 8.983 2.276 2.309 31 2HB LYS 5 1HB LYS 5 7.684 1.648 3.315 32 1HG LYS 5 1HG LYS 5 9.775 2.237 4.529 33 2HG LYS 5 2HG LYS 5 9.220 0.580 4.776 34 1HD LYS 5 2HD LYS 5 10.816 -0.176 3.064 35 2HD LYS 5 1HD LYS 5 11.398 1.482 2.895 36 1HE LYS 5 1HE LYS 5 11.524 -0.205 5.393 37 2HE LYS 5 2HE LYS 5 12.880 0.194 4.338 38 1HZ LYS 5 1HZ LYS 5 11.265 2.244 5.741 39 2HZ LYS 5 2HZ LYS 5 12.742 2.460 4.947 40 3HZ LYS 5 3HZ LYS 5 12.679 1.578 6.388 41 H ILE 6 H ILE 6 6.254 -0.733 2.461 42 HA ILE 6 HA ILE 6 6.601 -2.235 4.755 43 HB ILE 6 HB ILE 6 4.396 -1.637 3.769 44 1HG1 ILE 6 1HG1 ILE 6 4.928 -4.563 4.311 45 2HG1 ILE 6 2HG1 ILE 6 4.402 -3.340 5.470 46 1HG2 ILE 6 1HG2 ILE 6 4.590 -3.964 1.928 47 2HG2 ILE 6 2HG2 ILE 6 5.263 -2.412 1.434 48 3HG2 ILE 6 3HG2 ILE 6 3.554 -2.539 1.845 49 1HD1 ILE 6 1HD1 ILE 6 2.370 -3.135 3.847 50 2HD1 ILE 6 2HD1 ILE 6 2.442 -4.428 5.047 51 3HD1 ILE 6 3HD1 ILE 6 2.861 -4.759 3.362 52 H LEU 7 H LEU 7 6.776 -3.184 1.366 53 HA LEU 7 HA LEU 7 7.885 -5.757 2.178 54 1HB LEU 7 1HB LEU 7 6.830 -6.716 0.433 55 2HB LEU 7 2HB LEU 7 5.823 -5.284 0.514 56 HG LEU 7 HG LEU 7 7.636 -4.356 -1.198 57 1HD1 LEU 7 1HD1 LEU 7 9.046 -5.891 -1.963 58 2HD1 LEU 7 2HD1 LEU 7 7.670 -6.786 -2.618 59 3HD1 LEU 7 3HD1 LEU 7 8.265 -7.142 -0.994 60 1HD2 LEU 7 1HD2 LEU 7 5.070 -5.707 -1.410 61 2HD2 LEU 7 2HD2 LEU 7 6.022 -5.809 -2.890 62 3HD2 LEU 7 3HD2 LEU 7 5.645 -4.234 -2.192 63 H ASN 8 H ASN 8 8.749 -2.737 1.141 64 HA ASN 8 HA ASN 8 10.707 -1.815 0.425 65 1HB ASN 8 2HB ASN 8 11.848 -4.570 0.950 66 2HB ASN 8 1HB ASN 8 12.788 -3.097 0.711 67 1HD2 ASN 8 2HD2 ASN 8 11.681 -5.151 2.971 68 2HD2 ASN 8 1HD2 ASN 8 11.628 -4.090 4.346 69 H ASN 9 H ASN 9 8.900 -2.909 -1.478 70 HA ASN 9 HA ASN 9 8.723 -3.310 -3.699 71 1HB ASN 9 1HB ASN 9 11.638 -2.509 -3.706 72 2HB ASN 9 2HB ASN 9 10.629 -2.669 -5.141 73 1HD2 ASN 9 1HD2 ASN 9 8.633 -1.527 -2.781 74 2HD2 ASN 9 2HD2 ASN 9 8.788 0.165 -3.081 75 H ILE 10 H ILE 10 8.552 -5.171 -4.728 76 HA ILE 10 HA ILE 10 9.604 -7.560 -3.856 77 HB ILE 10 HB ILE 10 8.958 -8.517 -6.040 78 1HG1 ILE 10 2HG1 ILE 10 9.558 -6.415 -7.351 79 2HG1 ILE 10 1HG1 ILE 10 8.052 -7.205 -7.799 80 1HG2 ILE 10 1HG2 ILE 10 7.161 -6.863 -4.360 81 2HG2 ILE 10 2HG2 ILE 10 7.207 -8.610 -4.603 82 3HG2 ILE 10 3HG2 ILE 10 6.500 -7.564 -5.839 83 1HD1 ILE 10 1HD1 ILE 10 6.770 -5.542 -6.631 84 2HD1 ILE 10 2HD1 ILE 10 7.895 -4.749 -7.733 85 3HD1 ILE 10 3HD1 ILE 10 8.244 -4.798 -6.006 86 H ARG 11 H ARG 11 11.029 -5.265 -6.073 87 HA ARG 11 HA ARG 11 12.920 -6.918 -7.305 88 1HB ARG 11 1HB ARG 11 14.201 -4.800 -7.674 89 2HB ARG 11 2HB ARG 11 12.515 -4.725 -8.170 90 1HG ARG 11 2HG ARG 11 11.985 -3.579 -6.035 91 2HG ARG 11 1HG ARG 11 13.711 -3.564 -5.663 92 1HD ARG 11 1HD ARG 11 12.409 -2.271 -8.056 93 2HD ARG 11 2HD ARG 11 12.988 -1.434 -6.617 94 HE ARG 11 HE ARG 11 14.537 -2.192 -8.843 95 1HH1 ARG 11 1HH1 ARG 11 14.675 -2.088 -5.361 96 2HH1 ARG 11 2HH1 ARG 11 16.401 -1.953 -5.308 97 1HH2 ARG 11 1HH2 ARG 11 16.807 -2.015 -8.780 98 2HH2 ARG 11 2HH2 ARG 11 17.612 -1.910 -7.249 99 H THR 12 H THR 12 13.337 -4.844 -4.428 100 HA THR 12 HA THR 12 15.967 -5.751 -3.867 101 HB THR 12 HB THR 12 13.948 -4.431 -2.042 102 HG1 THR 12 1HG THR 12 15.532 -2.629 -2.526 103 1HG2 THR 12 1HG2 THR 12 15.833 -3.882 -0.609 104 2HG2 THR 12 2HG2 THR 12 16.932 -4.735 -1.692 105 3HG2 THR 12 3HG2 THR 12 15.704 -5.631 -0.796 106 H LEU 13 H LEU 13 12.775 -6.799 -2.910 107 HA LEU 13 HA LEU 13 13.467 -8.455 -0.770 108 1HB LEU 13 2HB LEU 13 11.207 -7.963 -0.957 109 2HB LEU 13 1HB LEU 13 11.157 -8.382 -2.660 110 HG LEU 13 HG LEU 13 11.242 -10.721 -2.169 111 1HD1 LEU 13 1HD2 LEU 13 11.850 -9.833 0.629 112 2HD1 LEU 13 2HD2 LEU 13 12.772 -10.920 -0.416 113 3HD1 LEU 13 3HD2 LEU 13 11.230 -11.445 0.272 114 1HD2 LEU 13 1HD1 LEU 13 9.056 -10.539 -1.930 115 2HD2 LEU 13 2HD1 LEU 13 9.214 -9.000 -1.080 116 3HD2 LEU 13 3HD1 LEU 13 9.316 -10.516 -0.185 117 H ARG 14 H ARG 14 12.708 -9.465 -4.117 118 HA ARG 14 HA ARG 14 13.196 -12.125 -3.963 119 1HB ARG 14 2HB ARG 14 14.054 -10.289 -6.203 120 2HB ARG 14 1HB ARG 14 13.963 -12.038 -6.328 121 1HG ARG 14 1HG ARG 14 11.536 -11.886 -5.811 122 2HG ARG 14 2HG ARG 14 11.685 -10.128 -5.891 123 1HD ARG 14 2HD ARG 14 10.889 -11.042 -8.011 124 2HD ARG 14 1HD ARG 14 12.475 -10.291 -8.194 125 HE ARG 14 HE ARG 14 12.765 -13.050 -7.672 126 1HH1 ARG 14 1HH1 ARG 14 11.810 -10.839 -10.190 127 2HH1 ARG 14 2HH1 ARG 14 12.229 -11.922 -11.475 128 1HH2 ARG 14 1HH2 ARG 14 13.317 -14.479 -9.354 129 2HH2 ARG 14 2HH2 ARG 14 13.085 -13.993 -11.001 130 H ALA 15 H ALA 15 15.549 -9.587 -3.847 131 HA ALA 15 HA ALA 15 17.820 -11.320 -4.233 132 1HB ALA 15 1HB ALA 15 19.150 -9.370 -3.871 133 2HB ALA 15 2HB ALA 15 17.772 -8.501 -3.199 134 3HB ALA 15 3HB ALA 15 17.793 -8.936 -4.909 135 H GLN 16 H GLN 16 16.464 -9.492 -1.486 136 HA GLN 16 HA GLN 16 18.367 -10.487 0.381 137 1HB GLN 16 2HB GLN 16 16.882 -9.581 2.110 138 2HB GLN 16 1HB GLN 16 17.116 -8.427 0.804 139 1HG GLN 16 1HG GLN 16 14.950 -9.051 -0.131 140 2HG GLN 16 2HG GLN 16 14.713 -10.196 1.186 141 1HE2 GLN 16 2HE2 GLN 16 13.884 -7.239 0.125 142 2HE2 GLN 16 1HE2 GLN 16 13.532 -6.457 1.637 143 H ALA 17 H ALA 17 15.309 -11.589 -0.772 144 HA ALA 17 HA ALA 17 15.083 -13.714 1.181 145 1HB ALA 17 1HB ALA 17 13.159 -14.284 -0.599 146 2HB ALA 17 2HB ALA 17 13.355 -12.555 -0.906 147 3HB ALA 17 3HB ALA 17 12.957 -13.126 0.717 148 H ARG 18 H ARG 18 16.416 -13.165 -1.924 149 HA ARG 18 HA ARG 18 16.248 -15.516 -3.278 150 1HB ARG 18 1HB ARG 18 17.498 -13.552 -4.048 151 2HB ARG 18 2HB ARG 18 18.744 -13.869 -2.852 152 1HG ARG 18 1HG ARG 18 19.320 -15.942 -3.957 153 2HG ARG 18 2HG ARG 18 18.019 -15.699 -5.128 154 1HD ARG 18 2HD ARG 18 19.082 -13.642 -5.887 155 2HD ARG 18 1HD ARG 18 20.372 -13.866 -4.709 156 HE ARG 18 HE ARG 18 21.386 -15.207 -6.239 157 1HH1 ARG 18 1HH1 ARG 18 17.950 -15.340 -6.812 158 2HH1 ARG 18 2HH1 ARG 18 18.088 -16.420 -8.159 159 1HH2 ARG 18 1HH2 ARG 18 21.574 -16.627 -8.010 160 2HH2 ARG 18 2HH2 ARG 18 20.147 -17.150 -8.840 161 H GLU 19 H GLU 19 17.921 -14.925 -0.294 162 HA GLU 19 HA GLU 19 19.021 -17.658 -0.357 163 1HB GLU 19 1HB GLU 19 20.533 -16.907 1.446 164 2HB GLU 19 2HB GLU 19 20.719 -15.964 -0.027 165 1HG GLU 19 1HG GLU 19 19.366 -14.178 0.944 166 2HG GLU 19 2HG GLU 19 19.181 -15.123 2.421 167 H SER 20 H SER 20 16.270 -17.350 0.185 168 HA SER 20 HA SER 20 16.120 -18.706 2.701 169 1HB SER 20 2HB SER 20 14.869 -15.957 2.494 170 2HB SER 20 1HB SER 20 14.572 -17.105 3.798 171 HG SER 20 HG SER 20 16.531 -15.346 3.599 172 H THR 21 H THR 21 13.481 -18.467 3.303 173 HA THR 21 HA THR 21 12.215 -19.800 1.036 174 HB THR 21 HB THR 21 11.248 -19.501 3.892 175 HG1 THR 21 1HG THR 21 12.084 -21.952 2.842 176 1HG2 THR 21 1HG2 THR 21 10.168 -21.760 2.498 177 2HG2 THR 21 2HG2 THR 21 9.856 -20.298 1.565 178 3HG2 THR 21 3HG2 THR 21 9.313 -20.405 3.239 179 H LEU 22 H LEU 22 9.966 -19.253 0.457 180 HA LEU 22 HA LEU 22 9.642 -16.543 -0.077 181 1HB LEU 22 1HB LEU 22 7.855 -17.152 -1.287 182 2HB LEU 22 2HB LEU 22 8.443 -18.777 -0.992 183 HG LEU 22 HG LEU 22 6.377 -17.434 0.740 184 1HD1 LEU 22 1HD1 LEU 22 5.951 -19.323 -1.567 185 2HD1 LEU 22 2HD1 LEU 22 5.573 -17.597 -1.564 186 3HD1 LEU 22 3HD1 LEU 22 4.707 -18.694 -0.487 187 1HD2 LEU 22 1HD2 LEU 22 6.584 -20.366 0.457 188 2HD2 LEU 22 2HD2 LEU 22 6.166 -19.381 1.860 189 3HD2 LEU 22 3HD2 LEU 22 7.853 -19.555 1.376 190 H GLU 23 H GLU 23 9.161 -18.237 2.808 191 HA GLU 23 HA GLU 23 7.004 -17.219 4.067 192 1HB GLU 23 2HB GLU 23 8.246 -17.307 6.168 193 2HB GLU 23 1HB GLU 23 8.645 -18.687 5.155 194 1HG GLU 23 2HG GLU 23 10.721 -17.610 4.481 195 2HG GLU 23 1HG GLU 23 10.321 -16.210 5.474 196 H THR 24 H THR 24 9.751 -15.424 2.967 197 HA THR 24 HA THR 24 9.618 -13.119 4.502 198 HB THR 24 HB THR 24 11.389 -13.380 2.881 199 HG1 THR 24 1HG THR 24 10.097 -11.229 1.698 200 1HG2 THR 24 1HG2 THR 24 9.776 -12.737 0.514 201 2HG2 THR 24 2HG2 THR 24 9.485 -14.343 1.187 202 3HG2 THR 24 3HG2 THR 24 11.114 -13.871 0.702 203 H LEU 25 H LEU 25 7.626 -14.148 1.774 204 HA LEU 25 HA LEU 25 6.167 -11.724 1.632 205 1HB LEU 25 1HB LEU 25 4.479 -13.144 0.333 206 2HB LEU 25 2HB LEU 25 6.052 -12.854 -0.364 207 HG LEU 25 HG LEU 25 6.735 -15.157 0.353 208 1HD1 LEU 25 1HD2 LEU 25 4.213 -15.060 1.711 209 2HD1 LEU 25 2HD2 LEU 25 5.475 -16.298 1.773 210 3HD1 LEU 25 3HD2 LEU 25 4.215 -16.376 0.539 211 1HD2 LEU 25 1HD1 LEU 25 6.264 -15.229 -1.845 212 2HD2 LEU 25 2HD1 LEU 25 4.680 -14.478 -1.645 213 3HD2 LEU 25 3HD1 LEU 25 4.895 -16.192 -1.294 214 H GLU 26 H GLU 26 5.415 -14.913 3.111 215 HA GLU 26 HA GLU 26 2.890 -14.156 4.030 216 1HB GLU 26 1HB GLU 26 3.029 -15.945 5.638 217 2HB GLU 26 2HB GLU 26 3.758 -16.485 4.133 218 1HG GLU 26 1HG GLU 26 5.978 -16.073 5.068 219 2HG GLU 26 2HG GLU 26 5.238 -15.552 6.580 220 H GLU 27 H GLU 27 6.019 -13.150 4.895 221 HA GLU 27 HA GLU 27 5.294 -12.109 7.497 222 1HB GLU 27 1HB GLU 27 7.554 -12.847 7.259 223 2HB GLU 27 2HB GLU 27 7.778 -11.896 5.797 224 1HG GLU 27 2HG GLU 27 7.656 -9.848 7.068 225 2HG GLU 27 1HG GLU 27 7.327 -10.755 8.545 226 H MET 28 H MET 28 6.327 -10.685 4.390 227 HA MET 28 HA MET 28 5.355 -8.081 5.213 228 1HB MET 28 1HB MET 28 6.666 -8.938 2.631 229 2HB MET 28 2HB MET 28 6.328 -7.281 3.108 230 1HG MET 28 2HG MET 28 8.207 -9.178 4.494 231 2HG MET 28 1HG MET 28 8.662 -7.832 3.450 232 1HE MET 28 1HE MET 28 10.064 -6.211 6.157 233 2HE MET 28 2HE MET 28 10.187 -7.799 5.402 234 3HE MET 28 3HE MET 28 9.680 -7.661 7.085 235 H LEU 29 H LEU 29 4.689 -10.461 2.697 236 HA LEU 29 HA LEU 29 2.715 -9.137 1.250 237 1HB LEU 29 1HB LEU 29 3.844 -11.315 0.694 238 2HB LEU 29 2HB LEU 29 2.805 -12.094 1.873 239 HG LEU 29 HG LEU 29 0.855 -11.651 0.542 240 1HD1 LEU 29 1HD2 LEU 29 0.727 -10.245 -1.234 241 2HD1 LEU 29 2HD2 LEU 29 2.405 -10.511 -1.706 242 3HD1 LEU 29 3HD2 LEU 29 2.028 -9.444 -0.354 243 1HD2 LEU 29 1HD1 LEU 29 1.621 -13.625 -0.261 244 2HD2 LEU 29 2HD1 LEU 29 3.217 -12.976 -0.638 245 3HD2 LEU 29 3HD1 LEU 29 1.862 -12.671 -1.726 246 H GLU 30 H GLU 30 2.463 -10.995 4.231 247 HA GLU 30 HA GLU 30 -0.349 -11.044 4.441 248 1HB GLU 30 2HB GLU 30 1.083 -12.492 5.793 249 2HB GLU 30 1HB GLU 30 1.746 -11.091 6.621 250 1HG GLU 30 2HG GLU 30 -0.577 -10.590 7.423 251 2HG GLU 30 1HG GLU 30 -1.061 -12.154 6.771 252 H LYS 31 H LYS 31 2.052 -8.660 5.341 253 HA LYS 31 HA LYS 31 0.125 -7.052 6.802 254 1HB LYS 31 1HB LYS 31 2.870 -6.130 6.019 255 2HB LYS 31 2HB LYS 31 1.935 -5.725 7.454 256 1HG LYS 31 2HG LYS 31 3.214 -8.376 6.846 257 2HG LYS 31 1HG LYS 31 3.779 -7.186 8.022 258 1HD LYS 31 1HD LYS 31 1.886 -7.530 9.410 259 2HD LYS 31 2HD LYS 31 1.050 -8.449 8.156 260 1HE LYS 31 1HE LYS 31 1.930 -9.930 9.880 261 2HE LYS 31 2HE LYS 31 2.721 -10.220 8.329 262 1HZ LYS 31 1HZ LYS 31 4.690 -9.664 9.169 263 2HZ LYS 31 2HZ LYS 31 3.976 -9.775 10.699 264 3HZ LYS 31 3HZ LYS 31 4.090 -8.275 9.927 265 H LEU 32 H LEU 32 1.629 -7.246 3.727 266 HA LEU 32 HA LEU 32 0.966 -4.664 2.782 267 1HB LEU 32 2HB LEU 32 2.737 -6.109 1.855 268 2HB LEU 32 1HB LEU 32 1.500 -7.187 1.238 269 HG LEU 32 HG LEU 32 0.672 -5.434 -0.238 270 1HD1 LEU 32 1HD2 LEU 32 1.625 -3.684 1.599 271 2HD1 LEU 32 2HD2 LEU 32 1.152 -3.249 -0.042 272 3HD1 LEU 32 3HD2 LEU 32 2.848 -3.546 0.337 273 1HD2 LEU 32 1HD1 LEU 32 2.605 -5.176 -1.687 274 2HD2 LEU 32 2HD1 LEU 32 2.537 -6.805 -1.022 275 3HD2 LEU 32 3HD1 LEU 32 3.676 -5.630 -0.364 276 H GLU 33 H GLU 33 -0.744 -7.629 3.150 277 HA GLU 33 HA GLU 33 -2.878 -6.804 1.344 278 1HB GLU 33 2HB GLU 33 -3.966 -8.894 1.925 279 2HB GLU 33 1HB GLU 33 -2.288 -9.193 1.501 280 1HG GLU 33 1HG GLU 33 -1.690 -9.472 3.802 281 2HG GLU 33 2HG GLU 33 -3.295 -8.963 4.326 282 H VAL 34 H VAL 34 -2.270 -7.169 4.820 283 HA VAL 34 HA VAL 34 -4.862 -6.450 5.662 284 HB VAL 34 HB VAL 34 -3.953 -6.036 7.857 285 1HG1 VAL 34 1HG1 VAL 34 -3.920 -8.425 6.592 286 2HG1 VAL 34 2HG1 VAL 34 -3.572 -8.202 8.305 287 3HG1 VAL 34 3HG1 VAL 34 -2.250 -8.321 7.146 288 1HG2 VAL 34 1HG2 VAL 34 -1.698 -5.142 6.533 289 2HG2 VAL 34 2HG2 VAL 34 -1.169 -6.627 7.325 290 3HG2 VAL 34 3HG2 VAL 34 -1.889 -5.328 8.277 291 H VAL 35 H VAL 35 -2.006 -4.545 4.806 292 HA VAL 35 HA VAL 35 -2.859 -2.069 5.805 293 HB VAL 35 HB VAL 35 -1.582 -1.021 3.899 294 1HG1 VAL 35 1HG2 VAL 35 -0.031 -1.084 5.475 295 2HG1 VAL 35 2HG2 VAL 35 0.592 -2.522 4.662 296 3HG1 VAL 35 3HG2 VAL 35 -0.529 -2.689 6.017 297 1HG2 VAL 35 1HG1 VAL 35 -1.867 -2.662 2.196 298 2HG2 VAL 35 2HG1 VAL 35 -1.079 -3.893 3.184 299 3HG2 VAL 35 3HG1 VAL 35 -0.146 -2.531 2.562 300 H VAL 36 H VAL 36 -3.416 -3.601 2.630 301 HA VAL 36 HA VAL 36 -5.277 -1.543 1.888 302 HB VAL 36 HB VAL 36 -5.808 -3.740 0.242 303 1HG1 VAL 36 1HG2 VAL 36 -5.391 -2.242 -1.397 304 2HG1 VAL 36 2HG2 VAL 36 -3.912 -1.652 -0.639 305 3HG1 VAL 36 3HG2 VAL 36 -5.487 -1.125 -0.033 306 1HG2 VAL 36 1HG1 VAL 36 -3.534 -4.226 -0.658 307 2HG2 VAL 36 2HG1 VAL 36 -3.863 -4.917 0.929 308 3HG2 VAL 36 3HG1 VAL 36 -2.867 -3.471 0.789 309 H ASN 37 H ASN 37 -5.437 -4.457 3.689 310 HA ASN 37 HA ASN 37 -8.082 -5.249 3.247 311 1HB ASN 37 2HB ASN 37 -6.474 -6.501 4.660 312 2HB ASN 37 1HB ASN 37 -6.561 -5.229 5.870 313 1HD2 ASN 37 1HD2 ASN 37 -7.689 -5.828 7.537 314 2HD2 ASN 37 2HD2 ASN 37 -9.146 -6.770 7.509 315 H GLU 38 H GLU 38 -6.663 -2.788 5.259 316 HA GLU 38 HA GLU 38 -9.204 -1.862 6.289 317 1HB GLU 38 2HB GLU 38 -6.453 -0.620 6.457 318 2HB GLU 38 1HB GLU 38 -7.872 -0.085 7.345 319 1HG GLU 38 1HG GLU 38 -6.535 -2.768 7.617 320 2HG GLU 38 2HG GLU 38 -6.385 -1.415 8.740 321 H ARG 39 H ARG 39 -6.740 -0.684 4.017 322 HA ARG 39 HA ARG 39 -8.050 1.709 3.308 323 1HB ARG 39 1HB ARG 39 -5.941 0.025 2.022 324 2HB ARG 39 2HB ARG 39 -6.655 1.353 1.127 325 1HG ARG 39 1HG ARG 39 -4.576 2.013 2.174 326 2HG ARG 39 2HG ARG 39 -5.937 2.917 2.841 327 1HD ARG 39 1HD ARG 39 -5.155 0.418 4.206 328 2HD ARG 39 2HD ARG 39 -4.053 1.787 4.355 329 HE ARG 39 HE ARG 39 -6.416 1.430 5.789 330 1HH1 ARG 39 1HH1 ARG 39 -4.906 3.925 3.875 331 2HH1 ARG 39 2HH1 ARG 39 -5.568 5.220 4.814 332 1HH2 ARG 39 1HH2 ARG 39 -7.273 3.133 7.037 333 2HH2 ARG 39 2HH2 ARG 39 -6.910 4.772 6.608 334 H ARG 40 H ARG 40 -7.945 -1.426 1.648 335 HA ARG 40 HA ARG 40 -9.529 -0.841 -0.534 336 1HB ARG 40 2HB ARG 40 -9.276 -3.421 1.018 337 2HB ARG 40 1HB ARG 40 -10.252 -3.296 -0.437 338 1HG ARG 40 2HG ARG 40 -7.283 -2.826 -0.241 339 2HG ARG 40 1HG ARG 40 -8.080 -4.231 -0.962 340 1HD ARG 40 2HD ARG 40 -8.191 -1.368 -1.919 341 2HD ARG 40 1HD ARG 40 -7.387 -2.724 -2.710 342 HE ARG 40 HE ARG 40 -10.082 -3.377 -2.425 343 1HH1 ARG 40 1HH1 ARG 40 -8.102 -1.072 -4.132 344 2HH1 ARG 40 2HH1 ARG 40 -9.205 -0.912 -5.457 345 1HH2 ARG 40 1HH2 ARG 40 -11.543 -3.167 -4.164 346 2HH2 ARG 40 2HH2 ARG 40 -11.159 -2.102 -5.476 347 H GLU 41 H GLU 41 -10.597 -1.931 2.674 348 HA GLU 41 HA GLU 41 -13.363 -1.929 2.006 349 1HB GLU 41 1HB GLU 41 -11.989 -1.851 4.692 350 2HB GLU 41 2HB GLU 41 -13.715 -2.099 4.462 351 1HG GLU 41 2HG GLU 41 -13.251 -4.141 3.201 352 2HG GLU 41 1HG GLU 41 -11.523 -3.892 3.445 353 H GLU 42 H GLU 42 -11.241 0.502 3.442 354 HA GLU 42 HA GLU 42 -13.435 2.276 4.050 355 1HB GLU 42 1HB GLU 42 -10.445 2.670 4.176 356 2HB GLU 42 2HB GLU 42 -11.622 3.868 4.694 357 1HG GLU 42 1HG GLU 42 -12.475 2.318 6.372 358 2HG GLU 42 2HG GLU 42 -11.305 1.107 5.849 359 H GLU 43 H GLU 43 -11.096 1.890 1.506 360 HA GLU 43 HA GLU 43 -11.420 4.421 0.299 361 1HB GLU 43 2HB GLU 43 -10.333 1.789 -0.604 362 2HB GLU 43 1HB GLU 43 -10.513 3.118 -1.749 363 1HG GLU 43 2HG GLU 43 -8.936 3.206 0.813 364 2HG GLU 43 1HG GLU 43 -8.268 3.000 -0.800 365 H SER 44 H SER 44 -12.844 1.239 -0.394 366 HA SER 44 HA SER 44 -14.434 2.029 -2.563 367 1HB SER 44 1HB SER 44 -14.106 -0.337 -1.938 368 2HB SER 44 2HB SER 44 -15.024 -0.074 -0.455 369 HG SER 44 HG SER 44 -15.971 -0.773 -2.786 370 H ALA 45 H ALA 45 -14.738 2.351 0.860 371 HA ALA 45 HA ALA 45 -17.455 3.194 0.962 372 1HB ALA 45 1HB ALA 45 -16.871 2.515 3.036 373 2HB ALA 45 2HB ALA 45 -16.373 4.196 3.226 374 3HB ALA 45 3HB ALA 45 -15.177 2.961 2.818 375 H ALA 46 H ALA 46 -14.330 4.881 0.980 376 HA ALA 46 HA ALA 46 -15.290 7.494 1.264 377 1HB ALA 46 1HB ALA 46 -12.784 6.522 -0.115 378 2HB ALA 46 2HB ALA 46 -12.948 6.934 1.593 379 3HB ALA 46 3HB ALA 46 -13.105 8.189 0.364 380 H ALA 47 H ALA 47 -14.663 5.550 -1.619 381 HA ALA 47 HA ALA 47 -15.254 7.616 -3.484 382 1HB ALA 47 1HB ALA 47 -14.671 6.123 -5.067 383 2HB ALA 47 2HB ALA 47 -15.631 4.828 -4.352 384 3HB ALA 47 3HB ALA 47 -14.045 5.219 -3.688 385 H ALA 48 H ALA 48 -17.158 5.089 -1.949 386 HA ALA 48 HA ALA 48 -19.454 5.399 -3.591 387 1HB ALA 48 1HB ALA 48 -19.579 3.383 -2.584 388 2HB ALA 48 2HB ALA 48 -20.485 4.297 -1.380 389 3HB ALA 48 3HB ALA 48 -18.778 3.943 -1.117 390 H GLU 49 H GLU 49 -18.651 6.623 -0.340 391 HA GLU 49 HA GLU 49 -21.127 8.077 -0.163 392 1HB GLU 49 1HB GLU 49 -20.312 8.861 1.986 393 2HB GLU 49 2HB GLU 49 -20.070 7.127 1.839 394 1HG GLU 49 1HG GLU 49 -17.715 7.505 1.304 395 2HG GLU 49 2HG GLU 49 -17.961 9.242 1.470 396 H VAL 50 H VAL 50 -17.710 8.991 -0.538 397 HA VAL 50 HA VAL 50 -16.727 11.016 -0.953 398 HB VAL 50 HB VAL 50 -17.415 12.064 -3.062 399 1HG1 VAL 50 1HG1 VAL 50 -17.218 9.073 -2.962 400 2HG1 VAL 50 2HG1 VAL 50 -15.957 10.252 -3.330 401 3HG1 VAL 50 3HG1 VAL 50 -17.257 9.959 -4.486 402 1HG2 VAL 50 1HG2 VAL 50 -19.828 11.888 -2.846 403 2HG2 VAL 50 2HG2 VAL 50 -19.728 10.133 -2.989 404 3HG2 VAL 50 3HG2 VAL 50 -19.284 11.157 -4.355 405 H GLU 51 H GLU 51 -18.698 11.171 1.099 406 HA GLU 51 HA GLU 51 -18.871 13.917 1.489 407 1HB GLU 51 2HB GLU 51 -20.514 13.909 -0.328 408 2HB GLU 51 1HB GLU 51 -21.466 12.702 0.524 409 1HG GLU 51 2HG GLU 51 -21.870 14.291 2.330 410 2HG GLU 51 1HG GLU 51 -20.918 15.503 1.474 411 H GLU 52 H GLU 52 -19.265 14.297 3.600 412 HA GLU 52 HA GLU 52 -19.944 12.012 5.264 413 1HB GLU 52 2HB GLU 52 -19.028 14.798 6.002 414 2HB GLU 52 1HB GLU 52 -19.280 13.482 7.142 415 1HG GLU 52 1HG GLU 52 -17.528 12.188 6.026 416 2HG GLU 52 2HG GLU 52 -17.266 13.525 4.908 417 H ARG 53 H ARG 53 -21.707 11.891 6.612 418 HA ARG 53 HA ARG 53 -24.003 13.415 5.838 419 1HB ARG 53 1HB ARG 53 -24.058 10.999 6.497 420 2HB ARG 53 2HB ARG 53 -23.718 11.487 8.150 421 1HG ARG 53 2HG ARG 53 -25.808 12.790 8.167 422 2HG ARG 53 1HG ARG 53 -26.156 12.209 6.538 423 1HD ARG 53 1HD ARG 53 -25.801 10.479 8.984 424 2HD ARG 53 2HD ARG 53 -27.343 10.913 8.249 425 HE ARG 53 HE ARG 53 -25.650 8.813 7.449 426 1HH1 ARG 53 1HH1 ARG 53 -27.639 11.338 6.098 427 2HH1 ARG 53 2HH1 ARG 53 -27.951 10.478 4.627 428 1HH2 ARG 53 1HH2 ARG 53 -26.059 7.678 5.517 429 2HH2 ARG 53 2HH2 ARG 53 -27.055 8.399 4.297 430 H THR 54 H THR 54 -21.830 14.967 6.986 431 HA THR 54 HA THR 54 -22.603 15.720 9.651 432 HB THR 54 HB THR 54 -20.927 17.509 9.425 433 HG1 THR 54 1HG THR 54 -19.869 17.825 7.494 434 1HG2 THR 54 1HG2 THR 54 -20.176 15.287 10.096 435 2HG2 THR 54 2HG2 THR 54 -18.953 16.078 9.102 436 3HG2 THR 54 3HG2 THR 54 -19.982 14.827 8.405 437 H ARG 55 H ARG 55 -22.758 17.279 6.458 438 HA ARG 55 HA ARG 55 -24.130 18.875 5.602 439 1HB ARG 55 1HB ARG 55 -25.885 18.190 7.965 440 2HB ARG 55 2HB ARG 55 -26.383 19.109 6.551 441 1HG ARG 55 1HG ARG 55 -26.103 17.196 5.135 442 2HG ARG 55 2HG ARG 55 -25.408 16.264 6.462 443 1HD ARG 55 2HD ARG 55 -27.741 15.659 6.084 444 2HD ARG 55 1HD ARG 55 -27.516 16.392 7.672 445 HE ARG 55 HE ARG 55 -28.237 18.401 5.863 446 1HH1 ARG 55 1HH1 ARG 55 -29.603 15.573 7.371 447 2HH1 ARG 55 2HH1 ARG 55 -31.226 16.176 7.327 448 1HH2 ARG 55 1HH2 ARG 55 -30.370 19.204 5.802 449 2HH2 ARG 55 2HH2 ARG 55 -31.662 18.239 6.434 450 H LYS 56 H LYS 56 -24.187 21.057 5.656 451 HA LYS 56 HA LYS 56 -22.771 22.443 7.646 452 1HB LYS 56 1HB LYS 56 -22.965 23.251 5.339 453 2HB LYS 56 2HB LYS 56 -24.687 23.517 5.567 454 1HG LYS 56 1HG LYS 56 -24.207 25.209 7.260 455 2HG LYS 56 2HG LYS 56 -22.476 24.938 7.038 456 1HD LYS 56 2HD LYS 56 -22.660 25.648 4.707 457 2HD LYS 56 1HD LYS 56 -24.393 25.907 4.919 458 1HE LYS 56 1HE LYS 56 -22.192 27.354 6.389 459 2HE LYS 56 2HE LYS 56 -23.149 28.008 5.061 460 1HZ LYS 56 1HZ LYS 56 -25.002 27.140 6.869 461 2HZ LYS 56 2HZ LYS 56 -24.526 28.744 6.624 462 3HZ LYS 56 3HZ LYS 56 -23.793 27.821 7.837 463 H LEU 57 H LEU 57 -26.240 22.095 7.047 464 HA LEU 57 HA LEU 57 -27.174 23.880 8.984 465 1HB LEU 57 1HB LEU 57 -28.610 22.926 7.263 466 2HB LEU 57 2HB LEU 57 -28.424 21.329 7.959 467 HG LEU 57 HG LEU 57 -29.615 22.067 9.980 468 1HD1 LEU 57 1HD2 LEU 57 -29.552 24.255 10.422 469 2HD1 LEU 57 2HD2 LEU 57 -30.896 24.391 9.289 470 3HD1 LEU 57 3HD2 LEU 57 -29.245 24.679 8.739 471 1HD2 LEU 57 1HD1 LEU 57 -30.903 21.042 8.219 472 2HD2 LEU 57 2HD1 LEU 57 -31.054 22.588 7.383 473 3HD2 LEU 57 3HD1 LEU 57 -31.841 22.348 8.942 474 H SER 1 1HT SER 1 -10.164 -6.870 1.248 475 HA SER 1 HA SER 1 -11.435 -8.937 1.044 476 1HB SER 1 1HB SER 1 -13.597 -7.880 0.560 477 2HB SER 1 2HB SER 1 -12.979 -7.300 -0.987 478 HG SER 1 HG SER 1 -13.311 -10.008 -0.201 479 H GLU 2 H GLU 2 -10.624 -6.632 -1.532 480 HA GLU 2 HA GLU 2 -9.582 -8.609 -3.297 481 1HB GLU 2 1HB GLU 2 -9.238 -5.612 -3.226 482 2HB GLU 2 2HB GLU 2 -8.609 -6.642 -4.507 483 1HG GLU 2 2HG GLU 2 -10.893 -7.401 -4.977 484 2HG GLU 2 1HG GLU 2 -11.492 -6.288 -3.747 485 H ALA 3 H ALA 3 -8.298 -6.745 -0.691 486 HA ALA 3 HA ALA 3 -5.537 -7.049 -1.336 487 1HB ALA 3 1HB ALA 3 -5.130 -6.309 0.965 488 2HB ALA 3 2HB ALA 3 -6.849 -6.479 1.321 489 3HB ALA 3 3HB ALA 3 -6.307 -5.276 0.153 490 H LEU 4 H LEU 4 -7.908 -8.963 0.154 491 HA LEU 4 HA LEU 4 -6.130 -10.792 1.464 492 1HB LEU 4 2HB LEU 4 -9.100 -10.731 0.955 493 2HB LEU 4 1HB LEU 4 -8.307 -11.985 1.889 494 HG LEU 4 HG LEU 4 -7.858 -10.532 3.678 495 1HD1 LEU 4 1HD2 LEU 4 -6.870 -8.660 2.567 496 2HD1 LEU 4 2HD2 LEU 4 -8.217 -8.063 3.535 497 3HD1 LEU 4 3HD2 LEU 4 -8.397 -8.243 1.789 498 1HD2 LEU 4 1HD1 LEU 4 -9.988 -10.539 4.274 499 2HD2 LEU 4 2HD1 LEU 4 -10.473 -10.640 2.579 500 3HD2 LEU 4 3HD1 LEU 4 -10.246 -9.062 3.340 501 H LYS 5 H LYS 5 -8.301 -10.788 -1.327 502 HA LYS 5 HA LYS 5 -7.505 -13.435 -2.133 503 1HB LYS 5 1HB LYS 5 -9.069 -13.127 -3.990 504 2HB LYS 5 2HB LYS 5 -9.816 -12.742 -2.447 505 1HG LYS 5 2HG LYS 5 -10.552 -11.066 -3.882 506 2HG LYS 5 1HG LYS 5 -9.237 -10.320 -2.969 507 1HD LYS 5 2HD LYS 5 -9.038 -9.731 -5.308 508 2HD LYS 5 1HD LYS 5 -7.702 -10.789 -4.840 509 1HE LYS 5 2HE LYS 5 -8.877 -12.703 -5.809 510 2HE LYS 5 1HE LYS 5 -10.210 -11.649 -6.280 511 1HZ LYS 5 1HZ LYS 5 -8.618 -10.397 -7.660 512 2HZ LYS 5 2HZ LYS 5 -8.789 -12.007 -8.153 513 3HZ LYS 5 3HZ LYS 5 -7.419 -11.529 -7.282 514 H ILE 6 H ILE 6 -6.480 -10.215 -2.790 515 HA ILE 6 HA ILE 6 -5.484 -10.422 -5.377 516 HB ILE 6 HB ILE 6 -5.499 -8.273 -4.171 517 1HG1 ILE 6 2HG1 ILE 6 -3.835 -8.631 -6.015 518 2HG1 ILE 6 1HG1 ILE 6 -3.369 -7.433 -4.824 519 1HG2 ILE 6 1HG2 ILE 6 -4.868 -9.341 -1.969 520 2HG2 ILE 6 2HG2 ILE 6 -4.163 -7.765 -2.331 521 3HG2 ILE 6 3HG2 ILE 6 -3.194 -9.230 -2.510 522 1HD1 ILE 6 1HD1 ILE 6 -2.197 -10.114 -5.303 523 2HD1 ILE 6 2HD1 ILE 6 -2.029 -9.327 -3.734 524 3HD1 ILE 6 3HD1 ILE 6 -1.402 -8.545 -5.185 525 H LEU 7 H LEU 7 -3.740 -10.824 -2.336 526 HA LEU 7 HA LEU 7 -1.664 -12.334 -3.621 527 1HB LEU 7 2HB LEU 7 -0.442 -11.818 -1.792 528 2HB LEU 7 1HB LEU 7 -1.747 -10.708 -1.414 529 HG LEU 7 HG LEU 7 -2.749 -12.797 -0.161 530 1HD1 LEU 7 1HD1 LEU 7 -0.257 -13.643 0.814 531 2HD1 LEU 7 2HD1 LEU 7 -0.156 -13.726 -0.947 532 3HD1 LEU 7 3HD1 LEU 7 -1.440 -14.586 -0.098 533 1HD2 LEU 7 1HD2 LEU 7 -0.731 -10.788 0.655 534 2HD2 LEU 7 2HD2 LEU 7 -1.101 -12.086 1.792 535 3HD2 LEU 7 3HD2 LEU 7 -2.388 -11.028 1.211 536 H ASN 8 H ASN 8 -4.722 -12.768 -2.468 537 HA ASN 8 HA ASN 8 -6.038 -14.581 -2.037 538 1HB ASN 8 2HB ASN 8 -5.056 -15.365 -4.180 539 2HB ASN 8 1HB ASN 8 -3.771 -16.162 -3.273 540 1HD2 ASN 8 2HD2 ASN 8 -4.058 -18.244 -3.078 541 2HD2 ASN 8 1HD2 ASN 8 -5.583 -19.063 -2.932 542 H ASN 9 H ASN 9 -4.340 -13.659 0.029 543 HA ASN 9 HA ASN 9 -3.674 -14.173 2.127 544 1HB ASN 9 2HB ASN 9 -5.180 -16.736 1.575 545 2HB ASN 9 1HB ASN 9 -4.606 -16.225 3.159 546 1HD2 ASN 9 1HD2 ASN 9 -5.486 -13.450 1.581 547 2HD2 ASN 9 2HD2 ASN 9 -7.113 -13.328 2.144 548 H ILE 10 H ILE 10 -1.750 -14.691 2.869 549 HA ILE 10 HA ILE 10 0.184 -16.049 1.377 550 HB ILE 10 HB ILE 10 1.545 -15.996 3.441 551 1HG1 ILE 10 1HG1 ILE 10 -0.993 -14.878 4.652 552 2HG1 ILE 10 2HG1 ILE 10 -0.234 -16.414 5.064 553 1HG2 ILE 10 1HG2 ILE 10 1.850 -14.062 2.266 554 2HG2 ILE 10 2HG2 ILE 10 1.178 -13.397 3.757 555 3HG2 ILE 10 3HG2 ILE 10 0.145 -13.614 2.342 556 1HD1 ILE 10 1HD1 ILE 10 1.536 -14.116 5.326 557 2HD1 ILE 10 2HD1 ILE 10 1.223 -15.452 6.439 558 3HD1 ILE 10 3HD1 ILE 10 0.126 -14.070 6.385 559 H ARG 11 H ARG 11 -2.016 -17.202 3.852 560 HA ARG 11 HA ARG 11 -0.819 -19.567 4.614 561 1HB ARG 11 2HB ARG 11 -3.133 -20.399 5.036 562 2HB ARG 11 1HB ARG 11 -2.818 -18.803 5.701 563 1HG ARG 11 2HG ARG 11 -3.989 -17.772 3.830 564 2HG ARG 11 1HG ARG 11 -4.283 -19.367 3.132 565 1HD ARG 11 2HD ARG 11 -5.293 -18.392 5.799 566 2HD ARG 11 1HD ARG 11 -6.248 -18.541 4.327 567 HE ARG 11 HE ARG 11 -5.080 -21.025 4.904 568 1HH1 ARG 11 1HH1 ARG 11 -7.511 -18.861 6.149 569 2HH1 ARG 11 2HH1 ARG 11 -8.450 -20.125 6.869 570 1HH2 ARG 11 1HH2 ARG 11 -6.312 -22.695 5.846 571 2HH2 ARG 11 2HH2 ARG 11 -7.770 -22.304 6.697 572 H THR 12 H THR 12 -3.023 -19.068 1.867 573 HA THR 12 HA THR 12 -2.676 -21.766 0.929 574 HB THR 12 HB THR 12 -4.012 -19.392 -0.382 575 HG1 THR 12 1HG THR 12 -5.890 -20.286 0.424 576 1HG2 THR 12 1HG2 THR 12 -5.029 -20.993 -1.894 577 2HG2 THR 12 2HG2 THR 12 -4.183 -22.321 -1.100 578 3HG2 THR 12 3HG2 THR 12 -3.272 -21.109 -2.003 579 H LEU 13 H LEU 13 -1.424 -18.584 0.117 580 HA LEU 13 HA LEU 13 -0.251 -19.254 -2.342 581 1HB LEU 13 2HB LEU 13 -0.638 -16.946 -1.562 582 2HB LEU 13 1HB LEU 13 0.638 -17.147 -0.378 583 HG LEU 13 HG LEU 13 1.101 -17.382 -3.351 584 1HD1 LEU 13 1HD2 LEU 13 1.303 -15.172 -3.577 585 2HD1 LEU 13 2HD2 LEU 13 2.091 -14.987 -2.011 586 3HD1 LEU 13 3HD2 LEU 13 0.333 -15.080 -2.106 587 1HD2 LEU 13 1HD1 LEU 13 3.457 -16.887 -2.645 588 2HD2 LEU 13 2HD1 LEU 13 2.835 -18.456 -2.125 589 3HD2 LEU 13 3HD1 LEU 13 2.935 -17.117 -0.976 590 H ARG 14 H ARG 14 1.382 -18.878 0.827 591 HA ARG 14 HA ARG 14 3.896 -19.617 0.094 592 1HB ARG 14 1HB ARG 14 4.346 -20.208 2.357 593 2HB ARG 14 2HB ARG 14 3.187 -18.888 2.383 594 1HG ARG 14 2HG ARG 14 1.399 -20.365 2.918 595 2HG ARG 14 1HG ARG 14 2.421 -21.782 2.655 596 1HD ARG 14 1HD ARG 14 2.716 -19.709 4.822 597 2HD ARG 14 2HD ARG 14 2.204 -21.384 5.023 598 HE ARG 14 HE ARG 14 4.755 -21.288 3.805 599 1HH1 ARG 14 1HH1 ARG 14 3.182 -20.786 6.876 600 2HH1 ARG 14 2HH1 ARG 14 4.594 -21.163 7.805 601 1HH2 ARG 14 1HH2 ARG 14 6.615 -21.775 5.018 602 2HH2 ARG 14 2HH2 ARG 14 6.547 -21.725 6.747 603 H ALA 15 H ALA 15 1.125 -21.668 0.456 604 HA ALA 15 HA ALA 15 2.617 -24.133 0.390 605 1HB ALA 15 1HB ALA 15 -0.323 -23.767 -0.094 606 2HB ALA 15 2HB ALA 15 0.398 -23.833 1.516 607 3HB ALA 15 3HB ALA 15 0.515 -25.224 0.439 608 H GLN 16 H GLN 16 0.455 -22.426 -1.877 609 HA GLN 16 HA GLN 16 0.753 -24.267 -3.998 610 1HB GLN 16 1HB GLN 16 -0.314 -22.650 -5.377 611 2HB GLN 16 2HB GLN 16 -1.012 -22.436 -3.777 612 1HG GLN 16 1HG GLN 16 0.452 -20.534 -3.377 613 2HG GLN 16 2HG GLN 16 1.187 -20.756 -4.962 614 1HE2 GLN 16 1HE2 GLN 16 -0.641 -18.713 -3.473 615 2HE2 GLN 16 2HE2 GLN 16 -1.784 -18.277 -4.702 616 H ALA 17 H ALA 17 2.514 -21.489 -2.973 617 HA ALA 17 HA ALA 17 4.297 -21.465 -5.240 618 1HB ALA 17 1HB ALA 17 5.407 -19.716 -3.559 619 2HB ALA 17 2HB ALA 17 3.762 -19.729 -2.913 620 3HB ALA 17 3HB ALA 17 4.044 -19.311 -4.604 621 H ARG 18 H ARG 18 4.104 -22.847 -2.103 622 HA ARG 18 HA ARG 18 6.665 -23.069 -1.207 623 1HB ARG 18 2HB ARG 18 4.656 -24.063 -0.139 624 2HB ARG 18 1HB ARG 18 4.672 -25.336 -1.349 625 1HG ARG 18 1HG ARG 18 6.789 -26.143 -0.537 626 2HG ARG 18 2HG ARG 18 6.891 -24.803 0.610 627 1HD ARG 18 2HD ARG 18 4.828 -25.594 1.681 628 2HD ARG 18 1HD ARG 18 4.786 -26.956 0.566 629 HE ARG 18 HE ARG 18 6.272 -26.809 2.948 630 1HH1 ARG 18 1HH1 ARG 18 6.583 -27.879 -0.355 631 2HH1 ARG 18 2HH1 ARG 18 7.767 -29.088 0.014 632 1HH2 ARG 18 1HH2 ARG 18 7.829 -28.398 3.440 633 2HH2 ARG 18 2HH2 ARG 18 8.473 -29.384 2.171 634 H GLU 19 H GLU 19 5.245 -24.586 -3.996 635 HA GLU 19 HA GLU 19 7.636 -26.208 -4.459 636 1HB GLU 19 1HB GLU 19 6.355 -27.179 -6.327 637 2HB GLU 19 2HB GLU 19 5.496 -27.305 -4.797 638 1HG GLU 19 1HG GLU 19 4.119 -25.384 -5.410 639 2HG GLU 19 2HG GLU 19 4.977 -25.261 -6.946 640 H SER 20 H SER 20 7.880 -23.327 -4.631 641 HA SER 20 HA SER 20 9.153 -23.176 -7.198 642 1HB SER 20 2HB SER 20 6.771 -21.382 -6.664 643 2HB SER 20 1HB SER 20 7.884 -21.217 -8.022 644 HG SER 20 HG SER 20 5.746 -22.807 -7.795 645 H THR 21 H THR 21 9.329 -20.394 -7.416 646 HA THR 21 HA THR 21 11.085 -19.798 -5.153 647 HB THR 21 HB THR 21 10.810 -18.324 -7.784 648 HG1 THR 21 1HG THR 21 12.222 -20.602 -7.034 649 1HG2 THR 21 1HG2 THR 21 12.628 -18.063 -5.426 650 2HG2 THR 21 2HG2 THR 21 11.872 -16.807 -6.406 651 3HG2 THR 21 3HG2 THR 21 13.251 -17.707 -7.037 652 H LEU 22 H LEU 22 11.130 -17.466 -4.403 653 HA LEU 22 HA LEU 22 8.665 -16.716 -3.374 654 1HB LEU 22 2HB LEU 22 9.822 -15.204 -2.204 655 2HB LEU 22 1HB LEU 22 11.238 -15.954 -2.915 656 HG LEU 22 HG LEU 22 9.858 -13.596 -4.169 657 1HD1 LEU 22 1HD1 LEU 22 11.963 -13.685 -2.043 658 2HD1 LEU 22 2HD1 LEU 22 10.474 -12.740 -2.090 659 3HD1 LEU 22 3HD1 LEU 22 11.823 -12.320 -3.149 660 1HD2 LEU 22 1HD2 LEU 22 12.739 -14.245 -4.470 661 2HD2 LEU 22 2HD2 LEU 22 11.638 -13.425 -5.578 662 3HD2 LEU 22 3HD2 LEU 22 11.548 -15.176 -5.381 663 H GLU 23 H GLU 23 9.870 -16.296 -6.503 664 HA GLU 23 HA GLU 23 9.045 -13.928 -7.476 665 1HB GLU 23 2HB GLU 23 9.950 -15.630 -8.931 666 2HB GLU 23 1HB GLU 23 8.556 -16.664 -8.671 667 1HG GLU 23 2HG GLU 23 8.422 -15.647 -10.841 668 2HG GLU 23 1HG GLU 23 7.140 -15.017 -9.809 669 H THR 24 H THR 24 7.001 -16.467 -6.253 670 HA THR 24 HA THR 24 4.515 -15.773 -7.263 671 HB THR 24 HB THR 24 4.756 -17.766 -5.932 672 HG1 THR 24 1HG THR 24 2.841 -17.578 -4.950 673 1HG2 THR 24 1HG2 THR 24 4.872 -16.479 -3.312 674 2HG2 THR 24 2HG2 THR 24 6.328 -16.238 -4.279 675 3HG2 THR 24 3HG2 THR 24 5.762 -17.871 -3.930 676 H LEU 25 H LEU 25 6.250 -14.430 -4.465 677 HA LEU 25 HA LEU 25 4.171 -12.639 -3.776 678 1HB LEU 25 1HB LEU 25 6.024 -11.425 -2.497 679 2HB LEU 25 2HB LEU 25 5.577 -13.038 -1.994 680 HG LEU 25 HG LEU 25 7.586 -13.898 -3.239 681 1HD1 LEU 25 1HD2 LEU 25 7.682 -11.215 -4.158 682 2HD1 LEU 25 2HD2 LEU 25 8.751 -12.565 -4.562 683 3HD1 LEU 25 3HD2 LEU 25 9.124 -11.519 -3.186 684 1HD2 LEU 25 1HD1 LEU 25 9.189 -13.118 -1.521 685 2HD2 LEU 25 2HD1 LEU 25 7.653 -13.679 -0.858 686 3HD2 LEU 25 3HD1 LEU 25 7.982 -11.950 -0.982 687 H GLU 26 H GLU 26 7.150 -12.262 -5.719 688 HA GLU 26 HA GLU 26 6.855 -9.524 -6.171 689 1HB GLU 26 1HB GLU 26 8.881 -10.609 -6.886 690 2HB GLU 26 2HB GLU 26 7.993 -11.659 -7.990 691 1HG GLU 26 1HG GLU 26 7.396 -9.746 -9.359 692 2HG GLU 26 2HG GLU 26 8.206 -8.663 -8.230 693 H GLU 27 H GLU 27 5.053 -12.228 -7.229 694 HA GLU 27 HA GLU 27 3.750 -10.872 -9.423 695 1HB GLU 27 1HB GLU 27 4.009 -13.235 -9.653 696 2HB GLU 27 2HB GLU 27 3.300 -13.532 -8.071 697 1HG GLU 27 2HG GLU 27 1.138 -12.805 -8.862 698 2HG GLU 27 1HG GLU 27 1.824 -12.397 -10.435 699 H MET 28 H MET 28 2.772 -12.075 -6.211 700 HA MET 28 HA MET 28 0.298 -10.562 -6.358 701 1HB MET 28 2HB MET 28 1.356 -12.343 -4.161 702 2HB MET 28 1HB MET 28 -0.263 -11.661 -4.240 703 1HG MET 28 2HG MET 28 0.936 -13.645 -6.159 704 2HG MET 28 1HG MET 28 -0.280 -13.976 -4.926 705 1HE MET 28 1HE MET 28 -2.595 -14.636 -7.496 706 2HE MET 28 2HE MET 28 -1.021 -15.201 -6.933 707 3HE MET 28 3HE MET 28 -1.175 -14.463 -8.528 708 H LEU 29 H LEU 29 3.163 -10.700 -4.301 709 HA LEU 29 HA LEU 29 2.537 -8.688 -2.459 710 1HB LEU 29 1HB LEU 29 4.433 -10.337 -2.364 711 2HB LEU 29 2HB LEU 29 5.271 -9.365 -3.555 712 HG LEU 29 HG LEU 29 5.400 -7.503 -1.985 713 1HD1 LEU 29 1HD2 LEU 29 3.257 -8.202 -0.787 714 2HD1 LEU 29 2HD2 LEU 29 4.575 -7.569 0.199 715 3HD1 LEU 29 3HD2 LEU 29 4.281 -9.307 0.130 716 1HD2 LEU 29 1HD1 LEU 29 6.912 -8.563 -0.346 717 2HD2 LEU 29 2HD1 LEU 29 7.213 -9.096 -2.002 718 3HD2 LEU 29 3HD1 LEU 29 6.341 -10.143 -0.880 719 H GLU 30 H GLU 30 4.083 -8.436 -5.651 720 HA GLU 30 HA GLU 30 4.716 -5.693 -5.511 721 1HB GLU 30 2HB GLU 30 5.725 -7.088 -7.204 722 2HB GLU 30 1HB GLU 30 4.152 -7.455 -7.899 723 1HG GLU 30 2HG GLU 30 3.891 -5.112 -8.541 724 2HG GLU 30 1HG GLU 30 5.475 -4.751 -7.854 725 H LYS 31 H LYS 31 1.765 -7.374 -6.364 726 HA LYS 31 HA LYS 31 0.494 -4.946 -7.321 727 1HB LYS 31 2HB LYS 31 -0.887 -7.563 -6.787 728 2HB LYS 31 1HB LYS 31 -1.323 -6.309 -7.942 729 1HG LYS 31 1HG LYS 31 1.074 -8.115 -8.089 730 2HG LYS 31 2HG LYS 31 -0.387 -8.234 -9.076 731 1HD LYS 31 2HD LYS 31 0.087 -6.110 -10.114 732 2HD LYS 31 1HD LYS 31 1.458 -5.846 -9.032 733 1HE LYS 31 2HE LYS 31 2.208 -6.586 -11.232 734 2HE LYS 31 1HE LYS 31 2.600 -7.775 -9.991 735 1HZ LYS 31 1HZ LYS 31 0.423 -8.875 -10.695 736 2HZ LYS 31 2HZ LYS 31 1.749 -9.027 -11.733 737 3HZ LYS 31 3HZ LYS 31 0.523 -7.916 -12.085 738 H LEU 32 H LEU 32 0.679 -6.949 -4.540 739 HA LEU 32 HA LEU 32 -1.539 -5.917 -3.123 740 1HB LEU 32 1HB LEU 32 -0.352 -8.081 -2.692 741 2HB LEU 32 2HB LEU 32 0.957 -7.149 -1.989 742 HG LEU 32 HG LEU 32 -0.380 -6.393 -0.196 743 1HD1 LEU 32 1HD2 LEU 32 -2.572 -6.942 -2.020 744 2HD1 LEU 32 2HD2 LEU 32 -2.476 -5.817 -0.666 745 3HD1 LEU 32 3HD2 LEU 32 -2.884 -7.508 -0.380 746 1HD2 LEU 32 1HD1 LEU 32 0.116 -8.393 0.649 747 2HD2 LEU 32 2HD1 LEU 32 -0.336 -9.235 -0.832 748 3HD2 LEU 32 3HD1 LEU 32 -1.574 -8.784 0.339 749 H GLU 33 H GLU 33 1.701 -4.845 -3.690 750 HA GLU 33 HA GLU 33 1.608 -2.915 -1.506 751 1HB GLU 33 2HB GLU 33 3.816 -2.192 -2.276 752 2HB GLU 33 1HB GLU 33 3.762 -3.932 -2.035 753 1HG GLU 33 2HG GLU 33 3.752 -4.356 -4.349 754 2HG GLU 33 1HG GLU 33 3.383 -2.677 -4.734 755 H VAL 34 H VAL 34 1.595 -2.902 -5.060 756 HA VAL 34 HA VAL 34 1.376 -0.115 -5.340 757 HB VAL 34 HB VAL 34 0.518 -0.552 -7.611 758 1HG1 VAL 34 1HG2 VAL 34 2.744 -2.488 -7.304 759 2HG1 VAL 34 2HG2 VAL 34 3.008 -0.840 -6.731 760 3HG1 VAL 34 3HG2 VAL 34 2.568 -1.130 -8.414 761 1HG2 VAL 34 1HG1 VAL 34 -0.254 -2.542 -8.329 762 2HG2 VAL 34 2HG1 VAL 34 -0.514 -2.845 -6.610 763 3HG2 VAL 34 3HG1 VAL 34 0.940 -3.455 -7.405 764 H VAL 35 H VAL 35 -1.009 -2.630 -4.764 765 HA VAL 35 HA VAL 35 -3.322 -1.144 -5.335 766 HB VAL 35 HB VAL 35 -3.441 -3.560 -4.923 767 1HG1 VAL 35 1HG1 VAL 35 -2.750 -2.831 -2.086 768 2HG1 VAL 35 2HG1 VAL 35 -1.816 -3.838 -3.191 769 3HG1 VAL 35 3HG1 VAL 35 -3.373 -4.403 -2.587 770 1HG2 VAL 35 1HG2 VAL 35 -5.203 -3.123 -2.818 771 2HG2 VAL 35 2HG2 VAL 35 -5.578 -3.091 -4.543 772 3HG2 VAL 35 3HG2 VAL 35 -5.164 -1.596 -3.702 773 H VAL 36 H VAL 36 -1.405 -1.489 -2.359 774 HA VAL 36 HA VAL 36 -3.016 0.484 -1.000 775 HB VAL 36 HB VAL 36 -0.637 0.279 0.432 776 1HG1 VAL 36 1HG2 VAL 36 -2.018 -0.322 2.129 777 2HG1 VAL 36 2HG2 VAL 36 -2.949 -1.434 1.130 778 3HG1 VAL 36 3HG2 VAL 36 -3.208 0.306 0.986 779 1HG2 VAL 36 1HG1 VAL 36 -0.163 -2.026 0.712 780 2HG2 VAL 36 2HG1 VAL 36 -0.078 -1.671 -1.013 781 3HG2 VAL 36 3HG1 VAL 36 -1.493 -2.488 -0.350 782 H ASN 37 H ASN 37 -0.298 0.441 -3.086 783 HA ASN 37 HA ASN 37 1.077 2.739 -2.288 784 1HB ASN 37 1HB ASN 37 1.813 1.184 -4.100 785 2HB ASN 37 2HB ASN 37 0.533 1.816 -5.127 786 1HD2 ASN 37 2HD2 ASN 37 3.572 1.808 -5.072 787 2HD2 ASN 37 1HD2 ASN 37 3.966 3.443 -5.476 788 H GLU 38 H GLU 38 -1.841 2.258 -4.142 789 HA GLU 38 HA GLU 38 -2.238 5.077 -4.641 790 1HB GLU 38 2HB GLU 38 -4.098 2.727 -5.032 791 2HB GLU 38 1HB GLU 38 -4.398 4.364 -5.595 792 1HG GLU 38 1HG GLU 38 -2.431 4.221 -7.042 793 2HG GLU 38 2HG GLU 38 -2.147 2.574 -6.484 794 H ARG 39 H ARG 39 -3.526 2.589 -2.493 795 HA ARG 39 HA ARG 39 -5.485 4.265 -1.275 796 1HB ARG 39 1HB ARG 39 -4.318 1.582 -0.657 797 2HB ARG 39 2HB ARG 39 -5.291 2.401 0.552 798 1HG ARG 39 1HG ARG 39 -6.679 0.894 -0.673 799 2HG ARG 39 2HG ARG 39 -7.128 2.551 -1.073 800 1HD ARG 39 1HD ARG 39 -5.571 2.311 -3.071 801 2HD ARG 39 2HD ARG 39 -5.576 0.584 -2.716 802 HE ARG 39 HE ARG 39 -7.578 0.481 -3.781 803 1HH1 ARG 39 1HH1 ARG 39 -7.241 3.677 -2.430 804 2HH1 ARG 39 2HH1 ARG 39 -8.766 4.234 -3.035 805 1HH2 ARG 39 1HH2 ARG 39 -9.586 1.210 -4.584 806 2HH2 ARG 39 2HH2 ARG 39 -10.096 2.833 -4.260 807 H ARG 40 H ARG 40 -2.370 3.024 -0.106 808 HA ARG 40 HA ARG 40 -2.248 4.221 2.347 809 1HB ARG 40 2HB ARG 40 -0.013 3.858 0.345 810 2HB ARG 40 1HB ARG 40 0.259 4.419 1.988 811 1HG ARG 40 1HG ARG 40 -0.953 1.774 1.223 812 2HG ARG 40 2HG ARG 40 0.712 2.030 1.759 813 1HD ARG 40 2HD ARG 40 -1.802 2.550 3.354 814 2HD ARG 40 1HD ARG 40 -0.667 1.222 3.592 815 HE ARG 40 HE ARG 40 0.753 3.616 3.794 816 1HH1 ARG 40 1HH1 ARG 40 -1.741 1.878 5.497 817 2HH1 ARG 40 2HH1 ARG 40 -1.323 2.537 7.043 818 1HH2 ARG 40 1HH2 ARG 40 1.310 4.488 5.825 819 2HH2 ARG 40 2HH2 ARG 40 0.412 4.020 7.229 820 H GLU 41 H GLU 41 -1.603 5.722 -0.792 821 HA GLU 41 HA GLU 41 -1.005 8.278 0.444 822 1HB GLU 41 2HB GLU 41 -0.660 9.088 -1.826 823 2HB GLU 41 1HB GLU 41 0.211 7.584 -1.558 824 1HG GLU 41 1HG GLU 41 -1.546 6.358 -2.730 825 2HG GLU 41 2HG GLU 41 -2.412 7.870 -3.005 826 H GLU 42 H GLU 42 -3.701 6.881 -1.416 827 HA GLU 42 HA GLU 42 -5.135 9.394 -1.416 828 1HB GLU 42 1HB GLU 42 -5.295 7.900 -3.346 829 2HB GLU 42 2HB GLU 42 -5.992 6.645 -2.330 830 1HG GLU 42 2HG GLU 42 -7.929 8.068 -1.897 831 2HG GLU 42 1HG GLU 42 -7.230 9.325 -2.918 832 H GLU 43 H GLU 43 -5.561 6.207 0.075 833 HA GLU 43 HA GLU 43 -7.947 6.666 1.404 834 1HB GLU 43 2HB GLU 43 -6.252 4.579 1.257 835 2HB GLU 43 1HB GLU 43 -5.887 5.141 2.882 836 1HG GLU 43 2HG GLU 43 -8.557 4.261 1.818 837 2HG GLU 43 1HG GLU 43 -7.554 3.434 3.002 838 H SER 44 H SER 44 -4.619 7.210 2.545 839 HA SER 44 HA SER 44 -5.278 8.292 5.052 840 1HB SER 44 2HB SER 44 -2.982 7.615 4.468 841 2HB SER 44 1HB SER 44 -2.893 8.919 3.283 842 HG SER 44 HG SER 44 -1.924 9.571 5.209 843 H ALA 45 H ALA 45 -5.067 9.632 1.845 844 HA ALA 45 HA ALA 45 -5.258 12.368 2.461 845 1HB ALA 45 1HB ALA 45 -4.731 12.217 0.278 846 2HB ALA 45 2HB ALA 45 -6.478 12.167 0.036 847 3HB ALA 45 3HB ALA 45 -5.550 10.663 0.087 848 H ALA 46 H ALA 46 -7.694 9.873 1.878 849 HA ALA 46 HA ALA 46 -9.973 11.509 1.903 850 1HB ALA 46 1HB ALA 46 -9.641 8.609 2.675 851 2HB ALA 46 2HB ALA 46 -10.084 9.241 1.088 852 3HB ALA 46 3HB ALA 46 -11.194 9.415 2.446 853 H ALA 47 H ALA 47 -8.232 9.839 4.479 854 HA ALA 47 HA ALA 47 -10.049 10.517 6.555 855 1HB ALA 47 1HB ALA 47 -8.736 9.242 7.849 856 2HB ALA 47 2HB ALA 47 -7.268 10.093 7.364 857 3HB ALA 47 3HB ALA 47 -7.927 8.818 6.340 858 H ALA 48 H ALA 48 -7.085 12.000 5.338 859 HA ALA 48 HA ALA 48 -6.840 13.960 7.357 860 1HB ALA 48 1HB ALA 48 -4.867 13.826 6.276 861 2HB ALA 48 2HB ALA 48 -5.565 15.112 5.291 862 3HB ALA 48 3HB ALA 48 -5.618 13.442 4.726 863 H GLU 49 H GLU 49 -8.295 14.076 4.113 864 HA GLU 49 HA GLU 49 -9.005 16.807 4.222 865 1HB GLU 49 2HB GLU 49 -10.460 16.323 2.310 866 2HB GLU 49 1HB GLU 49 -8.870 15.602 2.107 867 1HG GLU 49 2HG GLU 49 -9.759 13.432 2.768 868 2HG GLU 49 1HG GLU 49 -11.354 14.151 2.989 869 H VAL 50 H VAL 50 -10.779 13.864 5.050 870 HA VAL 50 HA VAL 50 -12.639 13.503 6.307 871 HB VAL 50 HB VAL 50 -12.227 16.355 7.226 872 1HG1 VAL 50 1HG2 VAL 50 -14.494 15.612 7.661 873 2HG1 VAL 50 2HG2 VAL 50 -13.584 15.692 9.169 874 3HG1 VAL 50 3HG2 VAL 50 -13.891 14.132 8.406 875 1HG2 VAL 50 1HG1 VAL 50 -10.319 15.344 7.974 876 2HG2 VAL 50 2HG1 VAL 50 -11.065 13.748 8.057 877 3HG2 VAL 50 3HG1 VAL 50 -11.408 14.948 9.303 878 H GLU 51 H GLU 51 -13.245 16.956 5.818 879 HA GLU 51 HA GLU 51 -15.850 16.399 4.740 880 1HB GLU 51 1HB GLU 51 -16.072 18.855 4.626 881 2HB GLU 51 2HB GLU 51 -15.539 18.308 6.208 882 1HG GLU 51 2HG GLU 51 -13.242 18.919 5.652 883 2HG GLU 51 1HG GLU 51 -13.774 19.466 4.063 884 H GLU 52 H GLU 52 -15.430 18.948 2.986 885 HA GLU 52 HA GLU 52 -13.732 18.148 0.858 886 1HB GLU 52 1HB GLU 52 -15.590 16.500 0.589 887 2HB GLU 52 2HB GLU 52 -16.701 17.845 0.361 888 1HG GLU 52 1HG GLU 52 -16.075 16.884 -1.765 889 2HG GLU 52 2HG GLU 52 -15.463 18.532 -1.628 890 H ARG 53 H ARG 53 -13.348 19.841 -0.489 891 HA ARG 53 HA ARG 53 -14.375 22.394 0.280 892 1HB ARG 53 1HB ARG 53 -12.580 21.631 -2.028 893 2HB ARG 53 2HB ARG 53 -12.897 23.274 -1.485 894 1HG ARG 53 2HG ARG 53 -11.912 22.702 0.706 895 2HG ARG 53 1HG ARG 53 -11.521 21.099 0.079 896 1HD ARG 53 1HD ARG 53 -9.580 22.548 -0.044 897 2HD ARG 53 2HD ARG 53 -10.137 22.131 -1.664 898 HE ARG 53 HE ARG 53 -11.338 24.541 -0.941 899 1HH1 ARG 53 1HH1 ARG 53 -8.156 23.286 -1.601 900 2HH1 ARG 53 2HH1 ARG 53 -7.540 24.798 -2.179 901 1HH2 ARG 53 1HH2 ARG 53 -10.537 26.533 -1.699 902 2HH2 ARG 53 2HH2 ARG 53 -8.893 26.644 -2.235 903 H THR 54 H THR 54 -16.639 21.288 -0.354 904 HA THR 54 HA THR 54 -17.584 22.827 -2.560 905 HB THR 54 HB THR 54 -16.688 20.961 -3.858 906 HG1 THR 54 1HG THR 54 -19.455 20.489 -3.901 907 1HG2 THR 54 1HG2 THR 54 -16.940 18.786 -3.342 908 2HG2 THR 54 2HG2 THR 54 -18.634 18.989 -2.895 909 3HG2 THR 54 3HG2 THR 54 -17.362 19.381 -1.737 910 H ARG 55 H ARG 55 -18.247 22.815 0.110 911 HA ARG 55 HA ARG 55 -20.499 21.221 0.728 912 1HB ARG 55 1HB ARG 55 -20.880 23.027 2.504 913 2HB ARG 55 2HB ARG 55 -19.379 22.120 2.577 914 1HG ARG 55 1HG ARG 55 -18.911 24.422 3.012 915 2HG ARG 55 2HG ARG 55 -18.237 24.001 1.438 916 1HD ARG 55 2HD ARG 55 -20.123 25.042 0.322 917 2HD ARG 55 1HD ARG 55 -20.870 25.404 1.877 918 HE ARG 55 HE ARG 55 -19.602 27.286 1.928 919 1HH1 ARG 55 1HH1 ARG 55 -17.919 24.921 -0.006 920 2HH1 ARG 55 2HH1 ARG 55 -16.595 25.977 -0.369 921 1HH2 ARG 55 1HH2 ARG 55 -17.862 28.676 1.453 922 2HH2 ARG 55 2HH2 ARG 55 -16.562 28.109 0.460 923 H LYS 56 H LYS 56 -22.199 23.415 1.730 924 HA LYS 56 HA LYS 56 -23.889 23.656 -0.551 925 1HB LYS 56 2HB LYS 56 -24.064 24.979 2.162 926 2HB LYS 56 1HB LYS 56 -25.340 24.982 0.951 927 1HG LYS 56 1HG LYS 56 -25.477 22.543 1.096 928 2HG LYS 56 2HG LYS 56 -24.213 22.552 2.327 929 1HD LYS 56 1HD LYS 56 -26.308 22.380 3.452 930 2HD LYS 56 2HD LYS 56 -25.694 24.012 3.719 931 1HE LYS 56 2HE LYS 56 -27.720 23.269 1.613 932 2HE LYS 56 1HE LYS 56 -28.124 23.922 3.198 933 1HZ LYS 56 1HZ LYS 56 -26.420 25.760 2.390 934 2HZ LYS 56 2HZ LYS 56 -28.070 25.840 2.035 935 3HZ LYS 56 3HZ LYS 56 -26.985 25.259 0.876 936 H LEU 57 H LEU 57 -24.666 26.472 0.471 937 HA LEU 57 HA LEU 57 -24.392 28.614 -0.228 938 1HB LEU 57 1HB LEU 57 -22.262 28.226 1.128 939 2HB LEU 57 2HB LEU 57 -21.445 28.010 -0.406 940 HG LEU 57 HG LEU 57 -22.914 30.528 0.390 941 1HD1 LEU 57 1HD1 LEU 57 -19.954 29.957 0.410 942 2HD1 LEU 57 2HD1 LEU 57 -20.976 30.112 1.838 943 3HD1 LEU 57 3HD1 LEU 57 -20.724 31.500 0.779 944 1HD2 LEU 57 1HD2 LEU 57 -21.170 29.806 -1.950 945 2HD2 LEU 57 2HD2 LEU 57 -21.500 31.474 -1.480 946 3HD2 LEU 57 3HD2 LEU 57 -22.825 30.417 -1.965 Start of MODEL 9 1 H SER 1 1HT SER 1 3.347 6.367 1.531 2 HA SER 1 HA SER 1 4.191 5.027 -0.029 3 1HB SER 1 2HB SER 1 6.932 5.955 0.873 4 2HB SER 1 1HB SER 1 6.614 4.939 -0.532 5 HG SER 1 HG SER 1 6.842 7.258 -0.937 6 H GLU 2 H GLU 2 3.404 4.161 2.470 7 HA GLU 2 HA GLU 2 5.320 2.393 3.637 8 1HB GLU 2 2HB GLU 2 2.324 2.569 3.962 9 2HB GLU 2 1HB GLU 2 3.363 1.508 4.904 10 1HG GLU 2 2HG GLU 2 4.596 3.507 5.682 11 2HG GLU 2 1HG GLU 2 3.409 4.508 4.848 12 H ALA 3 H ALA 3 3.035 2.166 1.072 13 HA ALA 3 HA ALA 3 2.779 -0.679 1.041 14 1HB ALA 3 1HB ALA 3 1.781 -0.372 -1.157 15 2HB ALA 3 2HB ALA 3 2.350 1.296 -1.202 16 3HB ALA 3 3HB ALA 3 1.133 0.810 -0.022 17 H LEU 4 H LEU 4 4.999 1.605 -0.179 18 HA LEU 4 HA LEU 4 6.343 -0.178 -1.993 19 1HB LEU 4 1HB LEU 4 7.035 2.573 -0.969 20 2HB LEU 4 2HB LEU 4 7.842 1.757 -2.302 21 HG LEU 4 HG LEU 4 6.379 3.278 -3.328 22 1HD1 LEU 4 1HD1 LEU 4 4.335 1.299 -3.588 23 2HD1 LEU 4 2HD1 LEU 4 5.919 0.526 -3.561 24 3HD1 LEU 4 3HD1 LEU 4 5.573 1.785 -4.748 25 1HD2 LEU 4 1HD2 LEU 4 4.046 3.590 -2.710 26 2HD2 LEU 4 2HD2 LEU 4 5.099 3.880 -1.325 27 3HD2 LEU 4 3HD2 LEU 4 4.199 2.369 -1.447 28 H LYS 5 H LYS 5 6.957 1.344 1.096 29 HA LYS 5 HA LYS 5 9.510 0.100 1.476 30 1HB LYS 5 2HB LYS 5 9.128 2.326 2.354 31 2HB LYS 5 1HB LYS 5 7.788 1.745 3.335 32 1HG LYS 5 2HG LYS 5 9.895 2.121 4.594 33 2HG LYS 5 1HG LYS 5 9.260 0.476 4.721 34 1HD LYS 5 2HD LYS 5 10.826 -0.253 2.986 35 2HD LYS 5 1HD LYS 5 11.474 1.385 2.887 36 1HE LYS 5 1HE LYS 5 12.903 -0.042 4.259 37 2HE LYS 5 2HE LYS 5 12.190 1.257 5.216 38 1HZ LYS 5 1HZ LYS 5 10.424 -0.443 5.822 39 2HZ LYS 5 2HZ LYS 5 11.953 -0.647 6.516 40 3HZ LYS 5 3HZ LYS 5 11.483 -1.613 5.209 41 H ILE 6 H ILE 6 6.230 -0.646 2.331 42 HA ILE 6 HA ILE 6 6.568 -2.242 4.573 43 HB ILE 6 HB ILE 6 4.366 -1.593 3.661 44 1HG1 ILE 6 1HG1 ILE 6 4.890 -4.560 3.965 45 2HG1 ILE 6 2HG1 ILE 6 4.366 -3.431 5.214 46 1HG2 ILE 6 1HG2 ILE 6 3.506 -2.322 1.671 47 2HG2 ILE 6 2HG2 ILE 6 4.530 -3.757 1.621 48 3HG2 ILE 6 3HG2 ILE 6 5.214 -2.173 1.259 49 1HD1 ILE 6 1HD1 ILE 6 2.362 -3.134 3.474 50 2HD1 ILE 6 2HD1 ILE 6 2.363 -4.344 4.760 51 3HD1 ILE 6 3HD1 ILE 6 2.820 -4.800 3.115 52 H LEU 7 H LEU 7 6.712 -3.030 1.154 53 HA LEU 7 HA LEU 7 7.822 -5.648 1.807 54 1HB LEU 7 2HB LEU 7 6.581 -6.466 0.145 55 2HB LEU 7 1HB LEU 7 5.794 -4.900 0.077 56 HG LEU 7 HG LEU 7 7.804 -4.338 -1.550 57 1HD1 LEU 7 1HD1 LEU 7 9.093 -6.077 -2.042 58 2HD1 LEU 7 2HD1 LEU 7 7.699 -6.807 -2.846 59 3HD1 LEU 7 3HD1 LEU 7 8.039 -7.178 -1.153 60 1HD2 LEU 7 1HD2 LEU 7 6.339 -5.166 -3.424 61 2HD2 LEU 7 2HD2 LEU 7 5.561 -4.116 -2.237 62 3HD2 LEU 7 3HD2 LEU 7 5.294 -5.864 -2.185 63 H ASN 8 H ASN 8 8.593 -2.555 0.705 64 HA ASN 8 HA ASN 8 10.529 -1.604 -0.039 65 1HB ASN 8 1HB ASN 8 11.793 -4.299 0.521 66 2HB ASN 8 2HB ASN 8 12.647 -2.776 0.292 67 1HD2 ASN 8 2HD2 ASN 8 13.269 -1.813 2.068 68 2HD2 ASN 8 1HD2 ASN 8 12.527 -1.963 3.632 69 H ASN 9 H ASN 9 8.719 -2.883 -1.856 70 HA ASN 9 HA ASN 9 8.511 -3.368 -4.057 71 1HB ASN 9 2HB ASN 9 11.388 -2.443 -4.175 72 2HB ASN 9 1HB ASN 9 10.344 -2.692 -5.572 73 1HD2 ASN 9 2HD2 ASN 9 8.366 -1.589 -3.215 74 2HD2 ASN 9 1HD2 ASN 9 8.425 0.104 -3.548 75 H ILE 10 H ILE 10 8.415 -5.273 -5.036 76 HA ILE 10 HA ILE 10 9.638 -7.571 -4.093 77 HB ILE 10 HB ILE 10 8.902 -8.701 -6.092 78 1HG1 ILE 10 1HG1 ILE 10 9.571 -6.969 -7.738 79 2HG1 ILE 10 2HG1 ILE 10 7.923 -7.534 -7.986 80 1HG2 ILE 10 1HG2 ILE 10 7.148 -8.522 -4.642 81 2HG2 ILE 10 2HG2 ILE 10 6.469 -7.753 -6.078 82 3HG2 ILE 10 3HG2 ILE 10 7.083 -6.761 -4.756 83 1HD1 ILE 10 1HD1 ILE 10 7.347 -5.401 -8.074 84 2HD1 ILE 10 2HD1 ILE 10 8.907 -4.876 -7.440 85 3HD1 ILE 10 3HD1 ILE 10 7.620 -5.351 -6.332 86 H ARG 11 H ARG 11 10.846 -5.231 -6.375 87 HA ARG 11 HA ARG 11 12.782 -6.809 -7.651 88 1HB ARG 11 2HB ARG 11 13.896 -4.683 -8.193 89 2HB ARG 11 1HB ARG 11 12.165 -4.612 -8.488 90 1HG ARG 11 1HG ARG 11 11.885 -3.440 -6.325 91 2HG ARG 11 2HG ARG 11 13.642 -3.434 -6.143 92 1HD ARG 11 1HD ARG 11 13.801 -2.211 -8.304 93 2HD ARG 11 2HD ARG 11 12.041 -2.113 -8.329 94 HE ARG 11 HE ARG 11 12.207 -0.344 -6.912 95 1HH1 ARG 11 1HH1 ARG 11 15.068 -2.301 -6.548 96 2HH1 ARG 11 2HH1 ARG 11 15.805 -1.238 -5.395 97 1HH2 ARG 11 1HH2 ARG 11 13.171 1.063 -5.398 98 2HH2 ARG 11 2HH2 ARG 11 14.727 0.673 -4.742 99 H THR 12 H THR 12 13.060 -4.743 -4.762 100 HA THR 12 HA THR 12 15.762 -5.615 -4.248 101 HB THR 12 HB THR 12 13.880 -3.971 -2.543 102 HG1 THR 12 1HG THR 12 16.012 -2.654 -3.529 103 1HG2 THR 12 1HG2 THR 12 16.559 -5.063 -2.059 104 2HG2 THR 12 2HG2 THR 12 15.362 -4.448 -0.918 105 3HG2 THR 12 3HG2 THR 12 16.421 -3.328 -1.773 106 H LEU 13 H LEU 13 12.552 -6.225 -2.933 107 HA LEU 13 HA LEU 13 13.317 -7.739 -0.712 108 1HB LEU 13 2HB LEU 13 11.103 -6.866 -0.840 109 2HB LEU 13 1HB LEU 13 10.788 -7.716 -2.338 110 HG LEU 13 HG LEU 13 9.763 -8.592 -0.113 111 1HD1 LEU 13 1HD1 LEU 13 9.911 -10.909 -0.950 112 2HD1 LEU 13 2HD1 LEU 13 11.154 -10.391 -2.089 113 3HD1 LEU 13 3HD1 LEU 13 9.516 -9.741 -2.212 114 1HD2 LEU 13 1HD2 LEU 13 11.050 -9.944 1.255 115 2HD2 LEU 13 2HD2 LEU 13 12.134 -8.594 0.923 116 3HD2 LEU 13 3HD2 LEU 13 12.333 -10.119 0.054 117 H ARG 14 H ARG 14 12.343 -8.814 -3.958 118 HA ARG 14 HA ARG 14 12.455 -11.526 -3.636 119 1HB ARG 14 2HB ARG 14 11.754 -10.395 -5.693 120 2HB ARG 14 1HB ARG 14 13.414 -9.913 -6.002 121 1HG ARG 14 2HG ARG 14 14.044 -12.276 -6.204 122 2HG ARG 14 1HG ARG 14 12.353 -12.724 -5.958 123 1HD ARG 14 1HD ARG 14 11.762 -11.331 -7.922 124 2HD ARG 14 2HD ARG 14 13.482 -11.074 -8.204 125 HE ARG 14 HE ARG 14 12.002 -13.302 -9.030 126 1HH1 ARG 14 1HH1 ARG 14 15.049 -12.559 -7.507 127 2HH1 ARG 14 2HH1 ARG 14 15.835 -13.986 -8.096 128 1HH2 ARG 14 1HH2 ARG 14 13.029 -15.178 -9.806 129 2HH2 ARG 14 2HH2 ARG 14 14.687 -15.473 -9.403 130 H ALA 15 H ALA 15 15.118 -9.272 -4.074 131 HA ALA 15 HA ALA 15 17.112 -11.329 -4.302 132 1HB ALA 15 1HB ALA 15 17.269 -9.061 -5.347 133 2HB ALA 15 2HB ALA 15 18.694 -9.580 -4.447 134 3HB ALA 15 3HB ALA 15 17.575 -8.420 -3.731 135 H GLN 16 H GLN 16 16.279 -8.949 -1.771 136 HA GLN 16 HA GLN 16 18.248 -9.823 0.055 137 1HB GLN 16 2HB GLN 16 16.986 -8.613 1.762 138 2HB GLN 16 1HB GLN 16 17.102 -7.659 0.289 139 1HG GLN 16 2HG GLN 16 14.840 -8.318 -0.318 140 2HG GLN 16 1HG GLN 16 14.718 -9.277 1.154 141 1HE2 GLN 16 2HE2 GLN 16 13.850 -6.449 -0.196 142 2HE2 GLN 16 1HE2 GLN 16 13.666 -5.473 1.229 143 H ALA 17 H ALA 17 15.196 -11.046 -0.846 144 HA ALA 17 HA ALA 17 14.899 -12.769 1.456 145 1HB ALA 17 1HB ALA 17 13.259 -12.025 -0.867 146 2HB ALA 17 2HB ALA 17 12.792 -12.321 0.810 147 3HB ALA 17 3HB ALA 17 13.062 -13.679 -0.284 148 H ARG 18 H ARG 18 16.209 -12.845 -1.742 149 HA ARG 18 HA ARG 18 16.138 -15.459 -2.515 150 1HB ARG 18 2HB ARG 18 18.481 -13.560 -2.591 151 2HB ARG 18 1HB ARG 18 18.529 -15.148 -3.343 152 1HG ARG 18 2HG ARG 18 16.590 -12.952 -4.024 153 2HG ARG 18 1HG ARG 18 18.029 -13.380 -4.947 154 1HD ARG 18 2HD ARG 18 15.677 -15.190 -4.415 155 2HD ARG 18 1HD ARG 18 16.001 -14.341 -5.927 156 HE ARG 18 HE ARG 18 18.238 -15.895 -5.261 157 1HH1 ARG 18 1HH1 ARG 18 14.934 -16.271 -6.297 158 2HH1 ARG 18 2HH1 ARG 18 15.224 -17.776 -7.104 159 1HH2 ARG 18 1HH2 ARG 18 18.629 -17.875 -6.321 160 2HH2 ARG 18 2HH2 ARG 18 17.324 -18.689 -7.118 161 H GLU 19 H GLU 19 17.953 -14.102 0.140 162 HA GLU 19 HA GLU 19 19.450 -16.517 0.635 163 1HB GLU 19 1HB GLU 19 19.090 -14.061 2.358 164 2HB GLU 19 2HB GLU 19 20.262 -15.345 2.634 165 1HG GLU 19 1HG GLU 19 21.275 -14.818 0.439 166 2HG GLU 19 2HG GLU 19 20.171 -13.453 0.297 167 H SER 20 H SER 20 16.454 -16.575 0.676 168 HA SER 20 HA SER 20 16.185 -18.307 2.936 169 1HB SER 20 1HB SER 20 14.617 -15.712 2.959 170 2HB SER 20 2HB SER 20 14.376 -17.059 4.069 171 HG SER 20 HG SER 20 16.303 -16.657 5.006 172 H THR 21 H THR 21 13.301 -18.032 3.112 173 HA THR 21 HA THR 21 12.585 -19.263 0.543 174 HB THR 21 HB THR 21 10.598 -20.147 1.785 175 HG1 THR 21 1HG THR 21 11.568 -19.898 4.265 176 1HG2 THR 21 1HG2 THR 21 12.471 -21.353 3.501 177 2HG2 THR 21 2HG2 THR 21 13.350 -20.932 2.032 178 3HG2 THR 21 3HG2 THR 21 11.910 -21.943 1.938 179 H LEU 22 H LEU 22 9.914 -19.044 0.462 180 HA LEU 22 HA LEU 22 9.534 -16.322 -0.287 181 1HB LEU 22 2HB LEU 22 7.805 -17.090 -1.484 182 2HB LEU 22 1HB LEU 22 8.396 -18.686 -1.066 183 HG LEU 22 HG LEU 22 6.312 -17.212 0.535 184 1HD1 LEU 22 1HD1 LEU 22 5.236 -17.533 -1.489 185 2HD1 LEU 22 2HD1 LEU 22 4.803 -18.978 -0.572 186 3HD1 LEU 22 3HD1 LEU 22 6.067 -19.058 -1.801 187 1HD2 LEU 22 1HD2 LEU 22 6.104 -19.053 1.832 188 2HD2 LEU 22 2HD2 LEU 22 7.809 -19.223 1.404 189 3HD2 LEU 22 3HD2 LEU 22 6.586 -20.156 0.541 190 H GLU 23 H GLU 23 9.241 -18.060 2.583 191 HA GLU 23 HA GLU 23 7.100 -17.177 3.951 192 1HB GLU 23 1HB GLU 23 8.862 -18.574 4.936 193 2HB GLU 23 2HB GLU 23 9.935 -17.184 5.003 194 1HG GLU 23 2HG GLU 23 8.413 -16.085 6.567 195 2HG GLU 23 1HG GLU 23 7.344 -17.486 6.503 196 H THR 24 H THR 24 9.757 -15.228 2.845 197 HA THR 24 HA THR 24 9.522 -12.965 4.426 198 HB THR 24 HB THR 24 11.332 -13.130 2.850 199 HG1 THR 24 1HG THR 24 9.583 -10.996 2.125 200 1HG2 THR 24 1HG2 THR 24 10.579 -14.293 0.998 201 2HG2 THR 24 2HG2 THR 24 10.696 -12.651 0.367 202 3HG2 THR 24 3HG2 THR 24 9.128 -13.306 0.837 203 H LEU 25 H LEU 25 7.611 -13.936 1.598 204 HA LEU 25 HA LEU 25 6.115 -11.542 1.486 205 1HB LEU 25 2HB LEU 25 4.407 -12.993 0.244 206 2HB LEU 25 1HB LEU 25 5.968 -12.721 -0.492 207 HG LEU 25 HG LEU 25 6.673 -14.992 0.255 208 1HD1 LEU 25 1HD2 LEU 25 4.167 -16.212 0.604 209 2HD1 LEU 25 2HD2 LEU 25 4.233 -14.864 1.737 210 3HD1 LEU 25 3HD2 LEU 25 5.496 -16.104 1.760 211 1HD2 LEU 25 1HD1 LEU 25 4.531 -14.397 -1.677 212 2HD2 LEU 25 2HD1 LEU 25 4.762 -16.098 -1.270 213 3HD2 LEU 25 3HD1 LEU 25 6.105 -15.155 -1.916 214 H GLU 26 H GLU 26 5.591 -14.659 3.088 215 HA GLU 26 HA GLU 26 3.044 -14.111 4.085 216 1HB GLU 26 1HB GLU 26 3.893 -16.332 4.288 217 2HB GLU 26 2HB GLU 26 5.301 -15.787 5.196 218 1HG GLU 26 2HG GLU 26 3.851 -15.172 7.066 219 2HG GLU 26 1HG GLU 26 2.447 -15.722 6.153 220 H GLU 27 H GLU 27 6.148 -12.869 4.847 221 HA GLU 27 HA GLU 27 5.379 -11.767 7.412 222 1HB GLU 27 1HB GLU 27 7.818 -11.128 5.748 223 2HB GLU 27 2HB GLU 27 7.592 -10.805 7.459 224 1HG GLU 27 1HG GLU 27 7.717 -13.539 6.221 225 2HG GLU 27 2HG GLU 27 9.057 -12.724 7.023 226 H MET 28 H MET 28 6.310 -10.426 4.243 227 HA MET 28 HA MET 28 5.262 -7.827 4.995 228 1HB MET 28 1HB MET 28 6.559 -8.694 2.411 229 2HB MET 28 2HB MET 28 6.226 -7.039 2.904 230 1HG MET 28 2HG MET 28 8.148 -8.952 4.209 231 2HG MET 28 1HG MET 28 8.557 -7.547 3.227 232 1HE MET 28 1HE MET 28 9.817 -8.097 6.008 233 2HE MET 28 2HE MET 28 9.673 -6.571 6.880 234 3HE MET 28 3HE MET 28 10.184 -6.577 5.192 235 H LEU 29 H LEU 29 4.629 -10.286 2.538 236 HA LEU 29 HA LEU 29 2.590 -8.986 1.105 237 1HB LEU 29 1HB LEU 29 3.792 -11.076 0.448 238 2HB LEU 29 2HB LEU 29 2.866 -11.947 1.652 239 HG LEU 29 HG LEU 29 0.797 -11.421 0.431 240 1HD1 LEU 29 1HD2 LEU 29 2.284 -10.579 -1.968 241 2HD1 LEU 29 2HD2 LEU 29 2.123 -9.379 -0.685 242 3HD1 LEU 29 3HD2 LEU 29 0.683 -10.107 -1.396 243 1HD2 LEU 29 1HD1 LEU 29 1.262 -12.874 -1.519 244 2HD2 LEU 29 2HD1 LEU 29 1.897 -13.519 -0.004 245 3HD2 LEU 29 3HD1 LEU 29 2.984 -12.749 -1.161 246 H GLU 30 H GLU 30 2.387 -11.102 3.962 247 HA GLU 30 HA GLU 30 -0.402 -11.223 4.150 248 1HB GLU 30 1HB GLU 30 1.026 -12.694 5.452 249 2HB GLU 30 2HB GLU 30 1.670 -11.324 6.347 250 1HG GLU 30 1HG GLU 30 -0.566 -10.900 7.272 251 2HG GLU 30 2HG GLU 30 -1.172 -12.314 6.410 252 H LYS 31 H LYS 31 1.868 -8.773 5.234 253 HA LYS 31 HA LYS 31 -0.193 -7.306 6.660 254 1HB LYS 31 2HB LYS 31 2.550 -6.258 6.038 255 2HB LYS 31 1HB LYS 31 1.525 -5.914 7.428 256 1HG LYS 31 2HG LYS 31 2.910 -8.515 6.840 257 2HG LYS 31 1HG LYS 31 3.394 -7.330 8.055 258 1HD LYS 31 2HD LYS 31 1.353 -7.704 9.292 259 2HD LYS 31 1HD LYS 31 0.747 -8.776 8.025 260 1HE LYS 31 2HE LYS 31 2.517 -10.362 8.470 261 2HE LYS 31 1HE LYS 31 3.226 -9.277 9.667 262 1HZ LYS 31 1HZ LYS 31 0.443 -10.186 9.975 263 2HZ LYS 31 2HZ LYS 31 1.538 -9.680 11.161 264 3HZ LYS 31 3HZ LYS 31 1.715 -11.200 10.439 265 H LEU 32 H LEU 32 1.387 -7.371 3.621 266 HA LEU 32 HA LEU 32 0.739 -4.773 2.715 267 1HB LEU 32 1HB LEU 32 2.459 -6.351 1.769 268 2HB LEU 32 2HB LEU 32 1.134 -7.238 1.042 269 HG LEU 32 HG LEU 32 0.510 -5.351 -0.317 270 1HD1 LEU 32 1HD2 LEU 32 2.733 -3.598 0.219 271 2HD1 LEU 32 2HD2 LEU 32 1.751 -3.833 1.666 272 3HD1 LEU 32 3HD2 LEU 32 1.005 -3.247 0.180 273 1HD2 LEU 32 1HD1 LEU 32 2.327 -5.339 -1.795 274 2HD2 LEU 32 2HD1 LEU 32 2.441 -6.879 -0.947 275 3HD2 LEU 32 3HD1 LEU 32 3.499 -5.542 -0.494 276 H GLU 33 H GLU 33 -0.990 -7.747 3.003 277 HA GLU 33 HA GLU 33 -3.122 -6.858 1.229 278 1HB GLU 33 1HB GLU 33 -4.135 -8.969 1.550 279 2HB GLU 33 2HB GLU 33 -2.413 -9.274 1.418 280 1HG GLU 33 1HG GLU 33 -3.008 -10.642 3.174 281 2HG GLU 33 2HG GLU 33 -2.464 -9.195 4.015 282 H VAL 34 H VAL 34 -2.498 -7.257 4.689 283 HA VAL 34 HA VAL 34 -5.127 -6.597 5.524 284 HB VAL 34 HB VAL 34 -4.258 -6.284 7.742 285 1HG1 VAL 34 1HG1 VAL 34 -4.497 -8.552 7.295 286 2HG1 VAL 34 2HG1 VAL 34 -2.860 -8.431 7.939 287 3HG1 VAL 34 3HG1 VAL 34 -3.114 -8.582 6.202 288 1HG2 VAL 34 1HG2 VAL 34 -1.991 -5.294 6.496 289 2HG2 VAL 34 2HG2 VAL 34 -1.452 -6.793 7.250 290 3HG2 VAL 34 3HG2 VAL 34 -2.219 -5.543 8.227 291 H VAL 35 H VAL 35 -2.252 -4.723 4.770 292 HA VAL 35 HA VAL 35 -3.040 -2.251 5.820 293 HB VAL 35 HB VAL 35 -0.777 -2.629 4.916 294 1HG1 VAL 35 1HG1 VAL 35 -2.277 -2.969 2.373 295 2HG1 VAL 35 2HG1 VAL 35 -0.892 -3.863 2.999 296 3HG1 VAL 35 3HG1 VAL 35 -0.667 -2.252 2.320 297 1HG2 VAL 35 1HG2 VAL 35 -2.445 -0.334 4.303 298 2HG2 VAL 35 2HG2 VAL 35 -1.060 -0.483 3.219 299 3HG2 VAL 35 3HG2 VAL 35 -0.811 -0.405 4.964 300 H VAL 36 H VAL 36 -3.850 -3.922 2.836 301 HA VAL 36 HA VAL 36 -5.552 -1.729 1.974 302 HB VAL 36 HB VAL 36 -6.131 -3.972 0.383 303 1HG1 VAL 36 1HG2 VAL 36 -6.186 -2.106 -0.844 304 2HG1 VAL 36 2HG2 VAL 36 -4.476 -2.431 -1.132 305 3HG1 VAL 36 3HG2 VAL 36 -4.961 -1.305 0.141 306 1HG2 VAL 36 1HG1 VAL 36 -4.089 -5.038 1.254 307 2HG2 VAL 36 2HG1 VAL 36 -3.149 -3.669 0.670 308 3HG2 VAL 36 3HG1 VAL 36 -4.002 -4.709 -0.478 309 H ASN 37 H ASN 37 -5.786 -4.861 3.512 310 HA ASN 37 HA ASN 37 -8.428 -5.522 3.259 311 1HB ASN 37 2HB ASN 37 -6.796 -6.771 4.649 312 2HB ASN 37 1HB ASN 37 -6.847 -5.487 5.847 313 1HD2 ASN 37 1HD2 ASN 37 -7.945 -6.049 7.543 314 2HD2 ASN 37 2HD2 ASN 37 -9.404 -6.989 7.561 315 H GLU 38 H GLU 38 -6.939 -3.060 5.216 316 HA GLU 38 HA GLU 38 -9.484 -2.072 6.217 317 1HB GLU 38 1HB GLU 38 -6.685 -0.974 6.526 318 2HB GLU 38 2HB GLU 38 -8.113 -0.369 7.354 319 1HG GLU 38 2HG GLU 38 -8.369 -2.515 8.487 320 2HG GLU 38 1HG GLU 38 -6.940 -3.125 7.654 321 H ARG 39 H ARG 39 -6.888 -1.025 4.038 322 HA ARG 39 HA ARG 39 -8.167 1.415 3.297 323 1HB ARG 39 2HB ARG 39 -5.643 0.232 2.882 324 2HB ARG 39 1HB ARG 39 -6.324 0.496 1.291 325 1HG ARG 39 1HG ARG 39 -5.438 2.427 3.337 326 2HG ARG 39 2HG ARG 39 -5.304 2.485 1.577 327 1HD ARG 39 1HD ARG 39 -6.870 4.129 1.945 328 2HD ARG 39 2HD ARG 39 -7.902 2.717 1.692 329 HE ARG 39 HE ARG 39 -7.363 2.888 4.418 330 1HH1 ARG 39 1HH1 ARG 39 -9.058 4.701 1.973 331 2HH1 ARG 39 2HH1 ARG 39 -10.186 5.393 3.089 332 1HH2 ARG 39 1HH2 ARG 39 -8.839 3.794 5.888 333 2HH2 ARG 39 2HH2 ARG 39 -10.063 4.876 5.313 334 H ARG 40 H ARG 40 -7.521 -1.529 1.477 335 HA ARG 40 HA ARG 40 -8.808 -1.095 -0.867 336 1HB ARG 40 1HB ARG 40 -7.674 -3.245 0.246 337 2HB ARG 40 2HB ARG 40 -9.352 -3.723 0.440 338 1HG ARG 40 1HG ARG 40 -7.931 -3.105 -2.141 339 2HG ARG 40 2HG ARG 40 -8.466 -4.690 -1.566 340 1HD ARG 40 1HD ARG 40 -10.256 -2.355 -2.254 341 2HD ARG 40 2HD ARG 40 -9.987 -3.780 -3.257 342 HE ARG 40 HE ARG 40 -10.878 -4.624 -0.744 343 1HH1 ARG 40 1HH1 ARG 40 -12.046 -2.890 -3.530 344 2HH1 ARG 40 2HH1 ARG 40 -13.694 -3.368 -3.297 345 1HH2 ARG 40 1HH2 ARG 40 -13.046 -5.260 -0.430 346 2HH2 ARG 40 2HH2 ARG 40 -14.263 -4.715 -1.535 347 H GLU 41 H GLU 41 -10.339 -1.969 2.218 348 HA GLU 41 HA GLU 41 -12.970 -2.082 1.019 349 1HB GLU 41 2HB GLU 41 -12.107 -2.237 3.905 350 2HB GLU 41 1HB GLU 41 -13.750 -2.489 3.334 351 1HG GLU 41 2HG GLU 41 -12.948 -4.384 1.972 352 2HG GLU 41 1HG GLU 41 -11.341 -4.159 2.661 353 H GLU 42 H GLU 42 -11.345 0.137 3.311 354 HA GLU 42 HA GLU 42 -13.649 1.843 3.486 355 1HB GLU 42 2HB GLU 42 -12.074 1.584 5.359 356 2HB GLU 42 1HB GLU 42 -10.808 2.326 4.393 357 1HG GLU 42 2HG GLU 42 -11.689 3.941 5.927 358 2HG GLU 42 1HG GLU 42 -12.141 4.394 4.286 359 H GLU 43 H GLU 43 -10.570 1.963 1.832 360 HA GLU 43 HA GLU 43 -10.606 4.550 0.866 361 1HB GLU 43 1HB GLU 43 -8.746 2.838 0.720 362 2HB GLU 43 2HB GLU 43 -9.571 2.193 -0.688 363 1HG GLU 43 1HG GLU 43 -7.713 3.769 -1.183 364 2HG GLU 43 2HG GLU 43 -9.266 4.206 -1.901 365 H SER 44 H SER 44 -11.897 1.588 -0.635 366 HA SER 44 HA SER 44 -12.902 2.771 -2.971 367 1HB SER 44 1HB SER 44 -12.759 0.326 -2.680 368 2HB SER 44 2HB SER 44 -14.002 0.399 -1.430 369 HG SER 44 HG SER 44 -15.426 0.342 -2.957 370 H ALA 45 H ALA 45 -14.151 2.438 0.263 371 HA ALA 45 HA ALA 45 -16.773 3.371 -0.149 372 1HB ALA 45 1HB ALA 45 -16.674 2.486 1.926 373 2HB ALA 45 2HB ALA 45 -16.222 4.124 2.401 374 3HB ALA 45 3HB ALA 45 -14.971 2.905 2.133 375 H ALA 46 H ALA 46 -13.718 4.973 0.556 376 HA ALA 46 HA ALA 46 -14.693 7.579 0.967 377 1HB ALA 46 1HB ALA 46 -12.447 6.949 1.624 378 2HB ALA 46 2HB ALA 46 -12.378 8.294 0.487 379 3HB ALA 46 3HB ALA 46 -12.008 6.658 -0.061 380 H ALA 47 H ALA 47 -13.635 5.865 -1.933 381 HA ALA 47 HA ALA 47 -13.839 8.072 -3.700 382 1HB ALA 47 1HB ALA 47 -13.600 6.483 -5.470 383 2HB ALA 47 2HB ALA 47 -14.096 5.157 -4.419 384 3HB ALA 47 3HB ALA 47 -12.558 5.975 -4.143 385 H ALA 48 H ALA 48 -16.088 5.531 -2.734 386 HA ALA 48 HA ALA 48 -18.127 6.143 -4.585 387 1HB ALA 48 1HB ALA 48 -18.067 4.009 -3.464 388 2HB ALA 48 2HB ALA 48 -19.585 4.826 -3.091 389 3HB ALA 48 3HB ALA 48 -18.287 4.789 -1.897 390 H GLU 49 H GLU 49 -17.591 7.199 -1.232 391 HA GLU 49 HA GLU 49 -19.996 8.649 -0.995 392 1HB GLU 49 1HB GLU 49 -18.990 9.711 0.952 393 2HB GLU 49 2HB GLU 49 -18.674 7.982 0.953 394 1HG GLU 49 1HG GLU 49 -16.418 8.372 0.155 395 2HG GLU 49 2HG GLU 49 -16.728 10.107 0.086 396 H VAL 50 H VAL 50 -16.962 9.429 -2.489 397 HA VAL 50 HA VAL 50 -16.883 12.167 -2.461 398 HB VAL 50 HB VAL 50 -16.279 10.368 -4.813 399 1HG1 VAL 50 1HG2 VAL 50 -16.354 12.429 -5.830 400 2HG1 VAL 50 2HG2 VAL 50 -14.676 12.382 -5.293 401 3HG1 VAL 50 3HG2 VAL 50 -15.872 13.289 -4.367 402 1HG2 VAL 50 1HG1 VAL 50 -14.004 11.484 -3.453 403 2HG2 VAL 50 2HG1 VAL 50 -14.407 9.795 -3.767 404 3HG2 VAL 50 3HG1 VAL 50 -15.028 10.597 -2.324 405 H GLU 51 H GLU 51 -18.815 10.124 -4.630 406 HA GLU 51 HA GLU 51 -20.904 12.006 -4.843 407 1HB GLU 51 1HB GLU 51 -20.657 12.645 -7.204 408 2HB GLU 51 2HB GLU 51 -19.329 13.252 -6.225 409 1HG GLU 51 2HG GLU 51 -17.909 11.432 -7.017 410 2HG GLU 51 1HG GLU 51 -19.242 10.821 -7.998 411 H GLU 52 H GLU 52 -22.720 11.108 -5.746 412 HA GLU 52 HA GLU 52 -22.659 8.871 -7.505 413 1HB GLU 52 2HB GLU 52 -22.000 7.697 -5.468 414 2HB GLU 52 1HB GLU 52 -23.395 8.347 -4.620 415 1HG GLU 52 2HG GLU 52 -24.880 7.124 -6.132 416 2HG GLU 52 1HG GLU 52 -23.473 6.460 -6.964 417 H ARG 53 H ARG 53 -24.606 10.411 -4.948 418 HA ARG 53 HA ARG 53 -26.576 11.370 -6.703 419 1HB ARG 53 1HB ARG 53 -27.085 8.932 -6.895 420 2HB ARG 53 2HB ARG 53 -27.428 8.905 -5.171 421 1HG ARG 53 1HG ARG 53 -29.228 10.558 -5.543 422 2HG ARG 53 2HG ARG 53 -28.918 10.456 -7.278 423 1HD ARG 53 1HD ARG 53 -29.781 8.191 -5.483 424 2HD ARG 53 2HD ARG 53 -30.795 9.040 -6.651 425 HE ARG 53 HE ARG 53 -28.577 8.019 -8.005 426 1HH1 ARG 53 1HH1 ARG 53 -31.401 6.874 -6.316 427 2HH1 ARG 53 2HH1 ARG 53 -31.525 5.418 -7.246 428 1HH2 ARG 53 1HH2 ARG 53 -28.731 6.103 -9.234 429 2HH2 ARG 53 2HH2 ARG 53 -30.008 4.979 -8.904 430 H THR 54 H THR 54 -25.303 12.674 -4.785 431 HA THR 54 HA THR 54 -27.393 13.583 -3.085 432 HB THR 54 HB THR 54 -26.847 11.637 -1.752 433 HG1 THR 54 1HG THR 54 -26.753 14.121 -0.892 434 1HG2 THR 54 1HG2 THR 54 -24.026 12.698 -1.587 435 2HG2 THR 54 2HG2 THR 54 -24.523 11.355 -2.615 436 3HG2 THR 54 3HG2 THR 54 -24.651 11.218 -0.862 437 H ARG 55 H ARG 55 -27.052 15.633 -2.493 438 HA ARG 55 HA ARG 55 -24.542 16.781 -1.927 439 1HB ARG 55 1HB ARG 55 -24.271 18.251 -3.857 440 2HB ARG 55 2HB ARG 55 -24.201 16.566 -4.350 441 1HG ARG 55 2HG ARG 55 -26.661 18.282 -4.596 442 2HG ARG 55 1HG ARG 55 -25.477 18.058 -5.884 443 1HD ARG 55 2HD ARG 55 -25.901 15.641 -5.838 444 2HD ARG 55 1HD ARG 55 -27.103 15.883 -4.571 445 HE ARG 55 HE ARG 55 -28.587 16.373 -6.217 446 1HH1 ARG 55 1HH1 ARG 55 -25.395 17.157 -7.385 447 2HH1 ARG 55 2HH1 ARG 55 -25.954 17.670 -8.943 448 1HH2 ARG 55 1HH2 ARG 55 -29.326 17.045 -8.265 449 2HH2 ARG 55 2HH2 ARG 55 -28.186 17.607 -9.442 450 H LYS 56 H LYS 56 -26.949 16.737 -0.628 451 HA LYS 56 HA LYS 56 -28.433 18.048 0.475 452 1HB LYS 56 1HB LYS 56 -26.621 20.255 -0.521 453 2HB LYS 56 2HB LYS 56 -27.863 20.449 0.709 454 1HG LYS 56 2HG LYS 56 -26.700 18.867 2.152 455 2HG LYS 56 1HG LYS 56 -25.461 18.644 0.914 456 1HD LYS 56 1HD LYS 56 -26.109 21.264 2.265 457 2HD LYS 56 2HD LYS 56 -24.765 20.206 2.701 458 1HE LYS 56 2HE LYS 56 -25.179 21.534 0.024 459 2HE LYS 56 1HE LYS 56 -24.027 22.037 1.261 460 1HZ LYS 56 1HZ LYS 56 -23.537 19.361 0.811 461 2HZ LYS 56 2HZ LYS 56 -22.581 20.667 0.322 462 3HZ LYS 56 3HZ LYS 56 -23.750 20.037 -0.727 463 H LEU 57 H LEU 57 -28.841 20.949 -0.619 464 HA LEU 57 HA LEU 57 -30.044 20.675 -3.166 465 1HB LEU 57 2HB LEU 57 -31.651 19.323 -1.894 466 2HB LEU 57 1HB LEU 57 -31.922 20.667 -0.802 467 HG LEU 57 HG LEU 57 -32.841 21.982 -2.694 468 1HD1 LEU 57 1HD1 LEU 57 -32.854 19.426 -4.269 469 2HD1 LEU 57 2HD1 LEU 57 -31.556 20.611 -4.420 470 3HD1 LEU 57 3HD1 LEU 57 -33.213 21.063 -4.817 471 1HD2 LEU 57 1HD2 LEU 57 -34.095 19.339 -2.005 472 2HD2 LEU 57 2HD2 LEU 57 -34.919 20.566 -2.966 473 3HD2 LEU 57 3HD2 LEU 57 -34.430 20.925 -1.310 474 H SER 1 1HT SER 1 -12.374 -7.017 -0.729 475 HA SER 1 HA SER 1 -11.131 -8.575 0.693 476 1HB SER 1 1HB SER 1 -11.496 -10.989 0.289 477 2HB SER 1 2HB SER 1 -12.937 -10.215 0.947 478 HG SER 1 HG SER 1 -12.968 -11.687 -1.087 479 H GLU 2 H GLU 2 -10.705 -6.990 -1.533 480 HA GLU 2 HA GLU 2 -9.684 -8.540 -3.720 481 1HB GLU 2 1HB GLU 2 -10.572 -6.275 -4.061 482 2HB GLU 2 2HB GLU 2 -9.300 -5.619 -3.041 483 1HG GLU 2 2HG GLU 2 -8.735 -5.258 -5.339 484 2HG GLU 2 1HG GLU 2 -7.624 -6.442 -4.650 485 H ALA 3 H ALA 3 -8.375 -6.985 -0.868 486 HA ALA 3 HA ALA 3 -5.620 -7.395 -1.569 487 1HB ALA 3 1HB ALA 3 -5.140 -6.610 0.671 488 2HB ALA 3 2HB ALA 3 -6.838 -6.776 1.119 489 3HB ALA 3 3HB ALA 3 -6.355 -5.574 -0.079 490 H LEU 4 H LEU 4 -8.086 -9.084 0.031 491 HA LEU 4 HA LEU 4 -6.499 -11.006 1.407 492 1HB LEU 4 1HB LEU 4 -9.426 -10.871 0.686 493 2HB LEU 4 2HB LEU 4 -8.730 -12.089 1.738 494 HG LEU 4 HG LEU 4 -8.300 -10.503 3.455 495 1HD1 LEU 4 1HD2 LEU 4 -8.915 -8.048 3.062 496 2HD1 LEU 4 2HD2 LEU 4 -8.786 -8.420 1.342 497 3HD1 LEU 4 3HD2 LEU 4 -7.386 -8.624 2.398 498 1HD2 LEU 4 1HD1 LEU 4 -10.448 -10.681 3.964 499 2HD2 LEU 4 2HD1 LEU 4 -10.899 -10.725 2.256 500 3HD2 LEU 4 3HD1 LEU 4 -10.721 -9.176 3.083 501 H LYS 5 H LYS 5 -8.456 -10.944 -1.533 502 HA LYS 5 HA LYS 5 -7.833 -13.643 -2.261 503 1HB LYS 5 2HB LYS 5 -9.995 -12.562 -2.809 504 2HB LYS 5 1HB LYS 5 -9.146 -11.462 -3.887 505 1HG LYS 5 2HG LYS 5 -9.000 -14.435 -4.236 506 2HG LYS 5 1HG LYS 5 -10.311 -13.471 -4.919 507 1HD LYS 5 2HD LYS 5 -7.408 -12.873 -5.399 508 2HD LYS 5 1HD LYS 5 -8.356 -13.925 -6.455 509 1HE LYS 5 1HE LYS 5 -9.918 -12.078 -6.867 510 2HE LYS 5 2HE LYS 5 -8.952 -11.035 -5.823 511 1HZ LYS 5 1HZ LYS 5 -7.613 -10.580 -7.507 512 2HZ LYS 5 2HZ LYS 5 -8.624 -11.461 -8.537 513 3HZ LYS 5 3HZ LYS 5 -7.310 -12.220 -7.792 514 H ILE 6 H ILE 6 -6.659 -10.427 -3.107 515 HA ILE 6 HA ILE 6 -5.201 -10.959 -5.406 516 HB ILE 6 HB ILE 6 -5.481 -8.693 -4.296 517 1HG1 ILE 6 1HG1 ILE 6 -2.726 -9.643 -5.088 518 2HG1 ILE 6 2HG1 ILE 6 -3.920 -8.851 -6.118 519 1HG2 ILE 6 1HG2 ILE 6 -4.175 -8.036 -2.486 520 2HG2 ILE 6 2HG2 ILE 6 -3.128 -9.448 -2.612 521 3HG2 ILE 6 3HG2 ILE 6 -4.785 -9.628 -2.041 522 1HD1 ILE 6 1HD1 ILE 6 -3.641 -6.931 -4.339 523 2HD1 ILE 6 2HD1 ILE 6 -2.525 -7.106 -5.696 524 3HD1 ILE 6 3HD1 ILE 6 -2.074 -7.711 -4.096 525 H LEU 7 H LEU 7 -4.499 -11.355 -2.049 526 HA LEU 7 HA LEU 7 -1.880 -12.481 -2.460 527 1HB LEU 7 2HB LEU 7 -2.745 -10.923 -0.564 528 2HB LEU 7 1HB LEU 7 -3.440 -12.382 0.103 529 HG LEU 7 HG LEU 7 -0.518 -11.870 -0.345 530 1HD1 LEU 7 1HD2 LEU 7 -0.484 -10.978 1.667 531 2HD1 LEU 7 2HD2 LEU 7 -1.290 -12.396 2.344 532 3HD1 LEU 7 3HD2 LEU 7 -2.249 -11.067 1.684 533 1HD2 LEU 7 1HD1 LEU 7 -0.309 -13.945 1.111 534 2HD2 LEU 7 2HD1 LEU 7 -0.697 -14.164 -0.599 535 3HD2 LEU 7 3HD1 LEU 7 -1.968 -14.285 0.613 536 H ASN 8 H ASN 8 -5.164 -13.423 -1.851 537 HA ASN 8 HA ASN 8 -6.182 -15.469 -1.639 538 1HB ASN 8 2HB ASN 8 -4.776 -15.955 -3.722 539 2HB ASN 8 1HB ASN 8 -3.593 -16.689 -2.643 540 1HD2 ASN 8 1HD2 ASN 8 -6.123 -17.305 -4.625 541 2HD2 ASN 8 2HD2 ASN 8 -6.637 -18.833 -3.976 542 H ASN 9 H ASN 9 -4.172 -14.161 0.180 543 HA ASN 9 HA ASN 9 -3.377 -14.341 2.259 544 1HB ASN 9 2HB ASN 9 -5.022 -16.887 2.317 545 2HB ASN 9 1HB ASN 9 -4.289 -16.126 3.730 546 1HD2 ASN 9 2HD2 ASN 9 -5.129 -13.643 1.782 547 2HD2 ASN 9 1HD2 ASN 9 -6.705 -13.303 2.397 548 H ILE 10 H ILE 10 -1.483 -14.830 3.020 549 HA ILE 10 HA ILE 10 0.382 -16.345 1.667 550 HB ILE 10 HB ILE 10 1.828 -16.129 3.598 551 1HG1 ILE 10 1HG1 ILE 10 0.075 -16.630 5.322 552 2HG1 ILE 10 2HG1 ILE 10 1.085 -15.244 5.712 553 1HG2 ILE 10 1HG2 ILE 10 1.971 -14.175 2.467 554 2HG2 ILE 10 2HG2 ILE 10 1.287 -13.546 3.968 555 3HG2 ILE 10 3HG2 ILE 10 0.239 -13.852 2.581 556 1HD1 ILE 10 1HD1 ILE 10 -1.764 -15.406 5.426 557 2HD1 ILE 10 2HD1 ILE 10 -1.095 -14.187 4.339 558 3HD1 ILE 10 3HD1 ILE 10 -0.768 -14.101 6.071 559 H ARG 11 H ARG 11 -1.875 -17.358 4.134 560 HA ARG 11 HA ARG 11 -0.685 -19.728 4.976 561 1HB ARG 11 2HB ARG 11 -3.024 -20.498 5.435 562 2HB ARG 11 1HB ARG 11 -2.647 -18.910 6.090 563 1HG ARG 11 1HG ARG 11 -3.799 -17.854 4.216 564 2HG ARG 11 2HG ARG 11 -4.169 -19.444 3.548 565 1HD ARG 11 1HD ARG 11 -5.062 -18.516 6.272 566 2HD ARG 11 2HD ARG 11 -6.042 -18.366 4.816 567 HE ARG 11 HE ARG 11 -6.481 -20.619 4.901 568 1HH1 ARG 11 1HH1 ARG 11 -3.987 -19.842 7.214 569 2HH1 ARG 11 2HH1 ARG 11 -3.973 -21.425 7.915 570 1HH2 ARG 11 1HH2 ARG 11 -6.468 -22.694 5.823 571 2HH2 ARG 11 2HH2 ARG 11 -5.380 -23.045 7.126 572 H THR 12 H THR 12 -2.825 -19.133 2.215 573 HA THR 12 HA THR 12 -2.560 -21.859 1.275 574 HB THR 12 HB THR 12 -3.946 -19.481 0.022 575 HG1 THR 12 1HG THR 12 -5.600 -21.425 0.809 576 1HG2 THR 12 1HG2 THR 12 -3.152 -21.424 -1.487 577 2HG2 THR 12 2HG2 THR 12 -4.832 -20.902 -1.600 578 3HG2 THR 12 3HG2 THR 12 -4.421 -22.356 -0.692 579 H LEU 13 H LEU 13 -1.392 -18.647 0.405 580 HA LEU 13 HA LEU 13 -0.262 -19.304 -2.073 581 1HB LEU 13 1HB LEU 13 -0.673 -16.998 -1.225 582 2HB LEU 13 2HB LEU 13 0.704 -17.191 -0.157 583 HG LEU 13 HG LEU 13 0.891 -17.378 -3.166 584 1HD1 LEU 13 1HD1 LEU 13 1.952 -15.105 -2.946 585 2HD1 LEU 13 2HD1 LEU 13 1.272 -15.038 -1.320 586 3HD1 LEU 13 3HD1 LEU 13 0.203 -15.161 -2.718 587 1HD2 LEU 13 1HD2 LEU 13 2.703 -18.511 -2.047 588 2HD2 LEU 13 2HD2 LEU 13 2.970 -17.119 -0.997 589 3HD2 LEU 13 3HD2 LEU 13 3.297 -16.994 -2.725 590 H ARG 14 H ARG 14 1.344 -18.983 1.096 591 HA ARG 14 HA ARG 14 3.896 -19.649 0.428 592 1HB ARG 14 2HB ARG 14 3.290 -18.958 2.652 593 2HB ARG 14 1HB ARG 14 2.314 -20.401 2.883 594 1HG ARG 14 2HG ARG 14 4.330 -21.778 2.801 595 2HG ARG 14 1HG ARG 14 5.305 -20.320 2.588 596 1HD ARG 14 2HD ARG 14 4.548 -19.471 4.725 597 2HD ARG 14 1HD ARG 14 3.501 -20.871 4.934 598 HE ARG 14 HE ARG 14 5.302 -21.957 5.795 599 1HH1 ARG 14 1HH1 ARG 14 6.475 -19.529 3.582 600 2HH1 ARG 14 2HH1 ARG 14 8.142 -19.904 3.857 601 1HH2 ARG 14 1HH2 ARG 14 7.494 -22.452 6.159 602 2HH2 ARG 14 2HH2 ARG 14 8.722 -21.564 5.320 603 H ALA 15 H ALA 15 1.146 -21.768 0.662 604 HA ALA 15 HA ALA 15 2.740 -24.182 0.520 605 1HB ALA 15 1HB ALA 15 -0.236 -23.914 0.259 606 2HB ALA 15 2HB ALA 15 0.611 -24.017 1.803 607 3HB ALA 15 3HB ALA 15 0.683 -25.361 0.663 608 H GLN 16 H GLN 16 0.360 -22.555 -1.583 609 HA GLN 16 HA GLN 16 0.607 -24.371 -3.726 610 1HB GLN 16 1HB GLN 16 -0.478 -22.637 -5.091 611 2HB GLN 16 2HB GLN 16 -1.289 -22.825 -3.541 612 1HG GLN 16 1HG GLN 16 -0.106 -20.861 -2.695 613 2HG GLN 16 2HG GLN 16 0.674 -20.662 -4.262 614 1HE2 GLN 16 2HE2 GLN 16 -1.688 -19.486 -2.393 615 2HE2 GLN 16 1HE2 GLN 16 -2.782 -18.889 -3.602 616 H ALA 17 H ALA 17 2.360 -21.558 -2.781 617 HA ALA 17 HA ALA 17 3.961 -21.464 -5.190 618 1HB ALA 17 1HB ALA 17 5.198 -19.776 -3.489 619 2HB ALA 17 2HB ALA 17 3.556 -19.754 -2.837 620 3HB ALA 17 3HB ALA 17 3.843 -19.321 -4.525 621 H ARG 18 H ARG 18 4.031 -22.826 -2.027 622 HA ARG 18 HA ARG 18 6.672 -23.068 -1.385 623 1HB ARG 18 1HB ARG 18 4.807 -24.041 -0.069 624 2HB ARG 18 2HB ARG 18 4.662 -25.326 -1.259 625 1HG ARG 18 2HG ARG 18 5.880 -26.093 0.685 626 2HG ARG 18 1HG ARG 18 6.932 -26.070 -0.732 627 1HD ARG 18 1HD ARG 18 7.851 -23.916 0.000 628 2HD ARG 18 2HD ARG 18 6.819 -23.966 1.427 629 HE ARG 18 HE ARG 18 9.317 -25.222 1.138 630 1HH1 ARG 18 1HH1 ARG 18 6.130 -25.827 2.414 631 2HH1 ARG 18 2HH1 ARG 18 6.682 -26.963 3.599 632 1HH2 ARG 18 1HH2 ARG 18 10.049 -26.713 2.696 633 2HH2 ARG 18 2HH2 ARG 18 8.908 -27.466 3.759 634 H GLU 19 H GLU 19 4.957 -24.635 -3.975 635 HA GLU 19 HA GLU 19 7.167 -26.391 -4.627 636 1HB GLU 19 1HB GLU 19 4.589 -25.838 -6.108 637 2HB GLU 19 2HB GLU 19 5.748 -27.096 -6.518 638 1HG GLU 19 2HG GLU 19 5.346 -28.172 -4.364 639 2HG GLU 19 1HG GLU 19 4.187 -26.909 -3.950 640 H SER 20 H SER 20 7.633 -23.471 -4.688 641 HA SER 20 HA SER 20 9.012 -23.383 -7.193 642 1HB SER 20 2HB SER 20 6.679 -22.782 -7.875 643 2HB SER 20 1HB SER 20 6.777 -21.378 -6.814 644 HG SER 20 HG SER 20 8.072 -21.879 -9.238 645 H THR 21 H THR 21 9.151 -20.499 -7.324 646 HA THR 21 HA THR 21 10.891 -20.028 -5.012 647 HB THR 21 HB THR 21 10.764 -18.488 -7.615 648 HG1 THR 21 1HG THR 21 12.076 -20.835 -6.878 649 1HG2 THR 21 1HG2 THR 21 12.176 -17.061 -6.650 650 2HG2 THR 21 2HG2 THR 21 13.303 -18.383 -6.345 651 3HG2 THR 21 3HG2 THR 21 12.079 -17.973 -5.144 652 H LEU 22 H LEU 22 10.983 -17.696 -4.238 653 HA LEU 22 HA LEU 22 8.492 -16.896 -3.301 654 1HB LEU 22 2HB LEU 22 9.650 -15.470 -2.030 655 2HB LEU 22 1HB LEU 22 11.076 -16.232 -2.711 656 HG LEU 22 HG LEU 22 9.791 -13.781 -3.892 657 1HD1 LEU 22 1HD1 LEU 22 11.987 -12.779 -2.818 658 2HD1 LEU 22 2HD1 LEU 22 11.720 -14.085 -1.663 659 3HD1 LEU 22 3HD1 LEU 22 10.468 -12.868 -1.924 660 1HD2 LEU 22 1HD2 LEU 22 11.475 -13.690 -5.371 661 2HD2 LEU 22 2HD2 LEU 22 11.486 -15.436 -5.106 662 3HD2 LEU 22 3HD2 LEU 22 12.643 -14.408 -4.260 663 H GLU 23 H GLU 23 9.875 -16.459 -6.359 664 HA GLU 23 HA GLU 23 9.181 -14.035 -7.303 665 1HB GLU 23 1HB GLU 23 8.718 -15.061 -9.475 666 2HB GLU 23 2HB GLU 23 10.113 -15.811 -8.714 667 1HG GLU 23 1HG GLU 23 8.731 -17.693 -8.015 668 2HG GLU 23 2HG GLU 23 7.326 -16.942 -8.769 669 H THR 24 H THR 24 7.003 -16.496 -6.195 670 HA THR 24 HA THR 24 4.593 -15.733 -7.333 671 HB THR 24 HB THR 24 4.699 -17.720 -5.973 672 HG1 THR 24 1HG THR 24 2.870 -15.767 -5.574 673 1HG2 THR 24 1HG2 THR 24 5.610 -17.839 -3.930 674 2HG2 THR 24 2HG2 THR 24 4.718 -16.429 -3.359 675 3HG2 THR 24 3HG2 THR 24 6.228 -16.217 -4.247 676 H LEU 25 H LEU 25 6.268 -14.410 -4.497 677 HA LEU 25 HA LEU 25 4.241 -12.521 -3.901 678 1HB LEU 25 2HB LEU 25 6.090 -11.365 -2.584 679 2HB LEU 25 1HB LEU 25 5.598 -12.962 -2.077 680 HG LEU 25 HG LEU 25 7.620 -13.891 -3.210 681 1HD1 LEU 25 1HD2 LEU 25 9.218 -11.560 -3.261 682 2HD1 LEU 25 2HD2 LEU 25 7.796 -11.250 -4.257 683 3HD1 LEU 25 3HD2 LEU 25 8.822 -12.652 -4.592 684 1HD2 LEU 25 1HD1 LEU 25 9.114 -12.326 -1.498 685 2HD2 LEU 25 2HD1 LEU 25 8.258 -13.812 -1.085 686 3HD2 LEU 25 3HD1 LEU 25 7.484 -12.248 -0.829 687 H GLU 26 H GLU 26 7.252 -12.374 -5.787 688 HA GLU 26 HA GLU 26 7.192 -9.642 -6.328 689 1HB GLU 26 1HB GLU 26 9.109 -10.879 -7.014 690 2HB GLU 26 2HB GLU 26 8.143 -11.973 -8.003 691 1HG GLU 26 1HG GLU 26 7.597 -10.052 -9.482 692 2HG GLU 26 2HG GLU 26 8.705 -9.064 -8.533 693 H GLU 27 H GLU 27 5.231 -12.261 -7.362 694 HA GLU 27 HA GLU 27 3.971 -10.823 -9.535 695 1HB GLU 27 2HB GLU 27 4.197 -13.207 -9.779 696 2HB GLU 27 1HB GLU 27 3.407 -13.491 -8.235 697 1HG GLU 27 1HG GLU 27 1.883 -13.999 -10.008 698 2HG GLU 27 2HG GLU 27 1.325 -12.557 -9.161 699 H MET 28 H MET 28 2.954 -12.069 -6.347 700 HA MET 28 HA MET 28 0.507 -10.523 -6.474 701 1HB MET 28 2HB MET 28 1.537 -12.368 -4.319 702 2HB MET 28 1HB MET 28 -0.068 -11.650 -4.371 703 1HG MET 28 1HG MET 28 1.074 -13.597 -6.363 704 2HG MET 28 2HG MET 28 -0.119 -13.956 -5.115 705 1HE MET 28 1HE MET 28 -0.506 -14.917 -7.715 706 2HE MET 28 2HE MET 28 -1.743 -14.160 -8.719 707 3HE MET 28 3HE MET 28 -2.177 -14.841 -7.151 708 H LEU 29 H LEU 29 3.380 -10.696 -4.420 709 HA LEU 29 HA LEU 29 2.727 -8.727 -2.539 710 1HB LEU 29 1HB LEU 29 4.618 -10.349 -2.437 711 2HB LEU 29 2HB LEU 29 5.463 -9.398 -3.635 712 HG LEU 29 HG LEU 29 5.712 -7.569 -2.094 713 1HD1 LEU 29 1HD2 LEU 29 4.729 -7.411 -0.008 714 2HD1 LEU 29 2HD2 LEU 29 4.424 -9.145 0.093 715 3HD1 LEU 29 3HD2 LEU 29 3.441 -8.136 -0.968 716 1HD2 LEU 29 1HD1 LEU 29 7.148 -8.610 -0.450 717 2HD2 LEU 29 2HD1 LEU 29 7.326 -9.434 -2.001 718 3HD2 LEU 29 3HD1 LEU 29 6.367 -10.170 -0.714 719 H GLU 30 H GLU 30 4.136 -8.422 -5.755 720 HA GLU 30 HA GLU 30 4.755 -5.655 -5.570 721 1HB GLU 30 2HB GLU 30 5.834 -7.014 -7.250 722 2HB GLU 30 1HB GLU 30 4.285 -7.433 -7.968 723 1HG GLU 30 1HG GLU 30 3.954 -5.101 -8.616 724 2HG GLU 30 2HG GLU 30 5.511 -4.685 -7.901 725 H LYS 31 H LYS 31 1.871 -7.436 -6.444 726 HA LYS 31 HA LYS 31 0.542 -5.053 -7.443 727 1HB LYS 31 2HB LYS 31 -0.719 -7.745 -6.973 728 2HB LYS 31 1HB LYS 31 -1.234 -6.479 -8.085 729 1HG LYS 31 1HG LYS 31 1.265 -8.131 -8.295 730 2HG LYS 31 2HG LYS 31 -0.185 -8.300 -9.287 731 1HD LYS 31 1HD LYS 31 0.164 -6.085 -10.218 732 2HD LYS 31 2HD LYS 31 1.557 -5.837 -9.159 733 1HE LYS 31 1HE LYS 31 2.729 -7.675 -10.247 734 2HE LYS 31 2HE LYS 31 1.334 -7.959 -11.289 735 1HZ LYS 31 1HZ LYS 31 1.878 -5.323 -11.653 736 2HZ LYS 31 2HZ LYS 31 2.335 -6.575 -12.695 737 3HZ LYS 31 3HZ LYS 31 3.420 -6.009 -11.527 738 H LEU 32 H LEU 32 0.655 -7.046 -4.628 739 HA LEU 32 HA LEU 32 -1.660 -6.034 -3.347 740 1HB LEU 32 2HB LEU 32 -0.621 -8.173 -2.774 741 2HB LEU 32 1HB LEU 32 0.799 -7.328 -2.191 742 HG LEU 32 HG LEU 32 -0.477 -6.349 -0.373 743 1HD1 LEU 32 1HD2 LEU 32 -2.961 -7.559 -0.403 744 2HD1 LEU 32 2HD2 LEU 32 -2.721 -7.042 -2.071 745 3HD1 LEU 32 3HD2 LEU 32 -2.612 -5.868 -0.760 746 1HD2 LEU 32 1HD1 LEU 32 0.375 -8.576 0.026 747 2HD2 LEU 32 2HD1 LEU 32 -1.071 -9.288 -0.693 748 3HD2 LEU 32 3HD1 LEU 32 -1.188 -8.383 0.816 749 H GLU 33 H GLU 33 1.568 -4.928 -3.787 750 HA GLU 33 HA GLU 33 1.379 -2.984 -1.633 751 1HB GLU 33 2HB GLU 33 3.616 -2.296 -2.266 752 2HB GLU 33 1HB GLU 33 3.544 -4.044 -2.119 753 1HG GLU 33 2HG GLU 33 4.679 -3.972 -4.051 754 2HG GLU 33 1HG GLU 33 3.072 -3.798 -4.746 755 H VAL 34 H VAL 34 1.193 -3.088 -5.162 756 HA VAL 34 HA VAL 34 0.969 -0.254 -5.456 757 HB VAL 34 HB VAL 34 0.269 -0.661 -7.742 758 1HG1 VAL 34 1HG1 VAL 34 2.713 -1.143 -6.742 759 2HG1 VAL 34 2HG1 VAL 34 2.330 -1.225 -8.461 760 3HG1 VAL 34 3HG1 VAL 34 2.382 -2.701 -7.499 761 1HG2 VAL 34 1HG2 VAL 34 -1.185 -2.505 -7.601 762 2HG2 VAL 34 2HG2 VAL 34 0.047 -3.520 -6.852 763 3HG2 VAL 34 3HG2 VAL 34 0.193 -3.062 -8.550 764 H VAL 35 H VAL 35 -1.304 -2.930 -5.123 765 HA VAL 35 HA VAL 35 -3.677 -1.571 -5.694 766 HB VAL 35 HB VAL 35 -3.677 -3.999 -5.358 767 1HG1 VAL 35 1HG1 VAL 35 -3.087 -3.343 -2.476 768 2HG1 VAL 35 2HG1 VAL 35 -2.055 -4.229 -3.598 769 3HG1 VAL 35 3HG1 VAL 35 -3.581 -4.931 -3.060 770 1HG2 VAL 35 1HG2 VAL 35 -5.547 -2.182 -4.209 771 2HG2 VAL 35 2HG2 VAL 35 -5.466 -3.634 -3.209 772 3HG2 VAL 35 3HG2 VAL 35 -5.839 -3.766 -4.930 773 H VAL 36 H VAL 36 -1.937 -2.008 -2.638 774 HA VAL 36 HA VAL 36 -3.669 -0.167 -1.270 775 HB VAL 36 HB VAL 36 -2.613 -2.037 -0.056 776 1HG1 VAL 36 1HG1 VAL 36 -0.200 -0.872 -1.122 777 2HG1 VAL 36 2HG1 VAL 36 -0.461 -2.465 -0.411 778 3HG1 VAL 36 3HG1 VAL 36 -0.113 -1.082 0.627 779 1HG2 VAL 36 1HG2 VAL 36 -1.558 -0.218 1.696 780 2HG2 VAL 36 2HG2 VAL 36 -3.248 -0.715 1.588 781 3HG2 VAL 36 3HG2 VAL 36 -2.699 0.731 0.739 782 H ASN 37 H ASN 37 -0.834 0.023 -3.188 783 HA ASN 37 HA ASN 37 0.413 2.284 -2.118 784 1HB ASN 37 1HB ASN 37 1.489 1.052 -3.887 785 2HB ASN 37 2HB ASN 37 0.145 1.358 -4.986 786 1HD2 ASN 37 2HD2 ASN 37 0.660 2.723 -6.491 787 2HD2 ASN 37 1HD2 ASN 37 1.670 4.124 -6.313 788 H GLU 38 H GLU 38 -2.300 1.961 -4.340 789 HA GLU 38 HA GLU 38 -2.667 4.795 -4.649 790 1HB GLU 38 1HB GLU 38 -4.552 2.508 -5.247 791 2HB GLU 38 2HB GLU 38 -4.776 4.174 -5.756 792 1HG GLU 38 2HG GLU 38 -2.746 4.040 -7.105 793 2HG GLU 38 1HG GLU 38 -2.518 2.369 -6.592 794 H ARG 39 H ARG 39 -4.187 2.210 -2.778 795 HA ARG 39 HA ARG 39 -6.127 3.865 -1.514 796 1HB ARG 39 2HB ARG 39 -5.060 1.122 -0.919 797 2HB ARG 39 1HB ARG 39 -6.203 1.914 0.149 798 1HG ARG 39 1HG ARG 39 -7.349 0.409 -1.347 799 2HG ARG 39 2HG ARG 39 -7.814 2.078 -1.674 800 1HD ARG 39 2HD ARG 39 -6.087 2.074 -3.509 801 2HD ARG 39 1HD ARG 39 -5.953 0.333 -3.259 802 HE ARG 39 HE ARG 39 -7.833 0.103 -4.509 803 1HH1 ARG 39 1HH1 ARG 39 -7.888 3.265 -3.046 804 2HH1 ARG 39 2HH1 ARG 39 -9.387 3.723 -3.784 805 1HH2 ARG 39 1HH2 ARG 39 -9.805 0.702 -5.489 806 2HH2 ARG 39 2HH2 ARG 39 -10.474 2.267 -5.174 807 H ARG 40 H ARG 40 -2.822 3.141 -0.905 808 HA ARG 40 HA ARG 40 -2.671 3.875 1.823 809 1HB ARG 40 2HB ARG 40 -0.830 3.079 -0.278 810 2HB ARG 40 1HB ARG 40 -0.156 4.378 0.694 811 1HG ARG 40 2HG ARG 40 -1.127 1.700 1.680 812 2HG ARG 40 1HG ARG 40 0.551 2.251 1.576 813 1HD ARG 40 2HD ARG 40 -1.618 3.401 3.337 814 2HD ARG 40 1HD ARG 40 -0.244 2.428 3.861 815 HE ARG 40 HE ARG 40 0.815 4.605 2.533 816 1HH1 ARG 40 1HH1 ARG 40 -1.194 4.071 5.330 817 2HH1 ARG 40 2HH1 ARG 40 -0.620 5.472 6.169 818 1HH2 ARG 40 1HH2 ARG 40 1.575 6.451 3.629 819 2HH2 ARG 40 2HH2 ARG 40 0.953 6.826 5.202 820 H GLU 41 H GLU 41 -1.770 5.631 -1.149 821 HA GLU 41 HA GLU 41 -1.091 8.035 0.153 822 1HB GLU 41 2HB GLU 41 -1.337 9.087 -2.071 823 2HB GLU 41 1HB GLU 41 -0.385 7.610 -2.128 824 1HG GLU 41 1HG GLU 41 -2.332 6.392 -2.962 825 2HG GLU 41 2HG GLU 41 -3.277 7.879 -2.915 826 H GLU 42 H GLU 42 -4.118 6.825 -1.163 827 HA GLU 42 HA GLU 42 -5.573 9.241 -0.581 828 1HB GLU 42 2HB GLU 42 -6.544 6.481 -1.346 829 2HB GLU 42 1HB GLU 42 -7.557 7.913 -1.238 830 1HG GLU 42 1HG GLU 42 -5.225 7.580 -3.113 831 2HG GLU 42 2HG GLU 42 -6.920 7.352 -3.544 832 H GLU 43 H GLU 43 -4.658 6.418 1.105 833 HA GLU 43 HA GLU 43 -6.733 6.214 3.007 834 1HB GLU 43 2HB GLU 43 -4.973 4.496 2.546 835 2HB GLU 43 1HB GLU 43 -3.819 5.517 3.385 836 1HG GLU 43 2HG GLU 43 -6.326 4.598 4.724 837 2HG GLU 43 1HG GLU 43 -4.907 3.552 4.630 838 H SER 44 H SER 44 -3.590 7.842 3.090 839 HA SER 44 HA SER 44 -3.993 9.030 5.648 840 1HB SER 44 1HB SER 44 -1.740 8.705 4.716 841 2HB SER 44 2HB SER 44 -2.113 9.825 3.407 842 HG SER 44 HG SER 44 -2.612 10.912 5.844 843 H ALA 45 H ALA 45 -4.650 9.927 2.350 844 HA ALA 45 HA ALA 45 -5.232 12.655 2.717 845 1HB ALA 45 1HB ALA 45 -6.788 11.957 0.606 846 2HB ALA 45 2HB ALA 45 -5.627 10.626 0.628 847 3HB ALA 45 3HB ALA 45 -5.059 12.293 0.504 848 H ALA 46 H ALA 46 -7.351 9.796 2.662 849 HA ALA 46 HA ALA 46 -9.765 11.194 3.093 850 1HB ALA 46 1HB ALA 46 -9.718 8.931 2.190 851 2HB ALA 46 2HB ALA 46 -10.711 9.004 3.646 852 3HB ALA 46 3HB ALA 46 -9.087 8.320 3.720 853 H ALA 47 H ALA 47 -7.578 9.512 5.350 854 HA ALA 47 HA ALA 47 -9.062 9.870 7.684 855 1HB ALA 47 1HB ALA 47 -6.940 9.599 8.885 856 2HB ALA 47 2HB ALA 47 -6.056 9.837 7.376 857 3HB ALA 47 3HB ALA 47 -7.097 8.427 7.576 858 H ALA 48 H ALA 48 -6.587 11.984 6.238 859 HA ALA 48 HA ALA 48 -6.669 13.997 8.201 860 1HB ALA 48 1HB ALA 48 -4.939 13.733 6.385 861 2HB ALA 48 2HB ALA 48 -5.516 15.380 6.644 862 3HB ALA 48 3HB ALA 48 -6.111 14.443 5.274 863 H GLU 49 H GLU 49 -8.481 13.500 5.226 864 HA GLU 49 HA GLU 49 -9.976 15.885 5.261 865 1HB GLU 49 2HB GLU 49 -9.846 14.565 3.252 866 2HB GLU 49 1HB GLU 49 -10.532 13.166 4.064 867 1HG GLU 49 2HG GLU 49 -12.659 14.281 4.269 868 2HG GLU 49 1HG GLU 49 -11.989 15.748 3.557 869 H VAL 50 H VAL 50 -10.402 12.770 6.778 870 HA VAL 50 HA VAL 50 -13.052 13.125 7.683 871 HB VAL 50 HB VAL 50 -10.834 11.306 8.625 872 1HG1 VAL 50 1HG1 VAL 50 -12.214 10.276 10.133 873 2HG1 VAL 50 2HG1 VAL 50 -13.686 10.821 9.328 874 3HG1 VAL 50 3HG1 VAL 50 -12.744 11.950 10.303 875 1HG2 VAL 50 1HG2 VAL 50 -13.290 10.285 7.337 876 2HG2 VAL 50 2HG2 VAL 50 -11.615 9.753 7.174 877 3HG2 VAL 50 3HG2 VAL 50 -12.174 11.185 6.309 878 H GLU 51 H GLU 51 -13.551 14.778 8.911 879 HA GLU 51 HA GLU 51 -13.699 16.167 10.706 880 1HB GLU 51 1HB GLU 51 -13.541 14.130 12.054 881 2HB GLU 51 2HB GLU 51 -11.786 14.202 11.979 882 1HG GLU 51 1HG GLU 51 -12.585 15.003 14.115 883 2HG GLU 51 2HG GLU 51 -11.818 16.309 13.213 884 H GLU 52 H GLU 52 -12.830 18.104 11.035 885 HA GLU 52 HA GLU 52 -10.128 18.667 11.513 886 1HB GLU 52 2HB GLU 52 -9.843 17.993 9.154 887 2HB GLU 52 1HB GLU 52 -11.009 19.217 8.669 888 1HG GLU 52 2HG GLU 52 -9.527 20.966 9.499 889 2HG GLU 52 1HG GLU 52 -8.362 19.742 10.007 890 H ARG 53 H ARG 53 -9.785 20.868 11.944 891 HA ARG 53 HA ARG 53 -12.023 22.317 12.800 892 1HB ARG 53 1HB ARG 53 -10.398 24.204 13.094 893 2HB ARG 53 2HB ARG 53 -9.925 22.697 13.862 894 1HG ARG 53 1HG ARG 53 -8.416 22.229 11.983 895 2HG ARG 53 2HG ARG 53 -8.868 23.773 11.255 896 1HD ARG 53 2HD ARG 53 -7.991 24.962 13.185 897 2HD ARG 53 1HD ARG 53 -7.591 23.434 13.966 898 HE ARG 53 HE ARG 53 -5.647 23.459 12.795 899 1HH1 ARG 53 1HH1 ARG 53 -8.001 25.296 10.997 900 2HH1 ARG 53 2HH1 ARG 53 -6.896 25.714 9.732 901 1HH2 ARG 53 1HH2 ARG 53 -4.188 24.006 11.137 902 2HH2 ARG 53 2HH2 ARG 53 -4.729 24.980 9.811 903 H THR 54 H THR 54 -13.329 22.231 10.830 904 HA THR 54 HA THR 54 -13.399 24.714 9.504 905 HB THR 54 HB THR 54 -11.516 23.891 8.211 906 HG1 THR 54 1HG THR 54 -13.649 23.533 6.420 907 1HG2 THR 54 1HG2 THR 54 -13.243 21.595 7.296 908 2HG2 THR 54 2HG2 THR 54 -12.057 21.452 8.594 909 3HG2 THR 54 3HG2 THR 54 -11.532 21.868 6.964 910 H ARG 55 H ARG 55 -15.268 23.334 10.908 911 HA ARG 55 HA ARG 55 -16.994 21.804 9.200 912 1HB ARG 55 1HB ARG 55 -17.442 22.974 11.950 913 2HB ARG 55 2HB ARG 55 -18.577 21.918 11.125 914 1HG ARG 55 1HG ARG 55 -17.355 20.610 12.688 915 2HG ARG 55 2HG ARG 55 -16.809 20.167 11.069 916 1HD ARG 55 2HD ARG 55 -14.937 20.377 12.634 917 2HD ARG 55 1HD ARG 55 -14.836 21.558 11.329 918 HE ARG 55 HE ARG 55 -14.852 23.170 12.926 919 1HH1 ARG 55 1HH1 ARG 55 -16.523 20.387 14.200 920 2HH1 ARG 55 2HH1 ARG 55 -16.834 21.120 15.738 921 1HH2 ARG 55 1HH2 ARG 55 -15.257 24.138 14.948 922 2HH2 ARG 55 2HH2 ARG 55 -16.115 23.250 16.163 923 H LYS 56 H LYS 56 -16.465 24.309 8.041 924 HA LYS 56 HA LYS 56 -17.475 26.107 7.074 925 1HB LYS 56 2HB LYS 56 -19.971 24.478 7.580 926 2HB LYS 56 1HB LYS 56 -19.826 25.811 6.444 927 1HG LYS 56 2HG LYS 56 -18.198 24.536 5.148 928 2HG LYS 56 1HG LYS 56 -18.337 23.199 6.292 929 1HD LYS 56 2HD LYS 56 -20.726 22.999 5.745 930 2HD LYS 56 1HD LYS 56 -20.554 24.307 4.571 931 1HE LYS 56 1HE LYS 56 -20.493 22.141 3.466 932 2HE LYS 56 2HE LYS 56 -18.942 22.967 3.313 933 1HZ LYS 56 1HZ LYS 56 -18.020 21.139 4.125 934 2HZ LYS 56 2HZ LYS 56 -19.520 20.454 4.498 935 3HZ LYS 56 3HZ LYS 56 -18.756 21.469 5.613 936 H LEU 57 H LEU 57 -16.925 26.521 9.746 937 HA LEU 57 HA LEU 57 -17.423 27.816 11.547 938 1HB LEU 57 2HB LEU 57 -19.084 29.148 9.422 939 2HB LEU 57 1HB LEU 57 -18.839 29.827 11.018 940 HG LEU 57 HG LEU 57 -16.653 29.259 9.011 941 1HD1 LEU 57 1HD2 LEU 57 -16.681 31.461 8.387 942 2HD1 LEU 57 2HD2 LEU 57 -17.433 31.993 9.890 943 3HD1 LEU 57 3HD2 LEU 57 -18.402 31.185 8.657 944 1HD2 LEU 57 1HD1 LEU 57 -15.209 30.474 10.533 945 2HD2 LEU 57 2HD1 LEU 57 -15.923 29.084 11.350 946 3HD2 LEU 57 3HD1 LEU 57 -16.549 30.703 11.656 Start of MODEL 10 1 H SER 1 1HT SER 1 2.615 4.533 -0.643 2 HA SER 1 HA SER 1 4.809 5.408 -0.871 3 1HB SER 1 2HB SER 1 4.355 7.591 0.144 4 2HB SER 1 1HB SER 1 4.173 6.834 1.726 5 HG SER 1 HG SER 1 6.465 6.017 1.041 6 H GLU 2 H GLU 2 3.376 4.569 2.277 7 HA GLU 2 HA GLU 2 5.597 3.003 3.119 8 1HB GLU 2 2HB GLU 2 4.169 2.271 4.946 9 2HB GLU 2 1HB GLU 2 4.020 4.008 4.720 10 1HG GLU 2 2HG GLU 2 1.917 3.694 3.551 11 2HG GLU 2 1HG GLU 2 2.070 1.947 3.723 12 H ALA 3 H ALA 3 3.102 2.465 0.919 13 HA ALA 3 HA ALA 3 2.789 -0.364 1.233 14 1HB ALA 3 1HB ALA 3 1.699 -0.228 -0.996 15 2HB ALA 3 2HB ALA 3 2.138 1.478 -1.067 16 3HB ALA 3 3HB ALA 3 1.031 0.902 0.180 17 H LEU 4 H LEU 4 4.981 1.716 -0.298 18 HA LEU 4 HA LEU 4 6.107 -0.201 -2.119 19 1HB LEU 4 1HB LEU 4 6.872 2.580 -1.239 20 2HB LEU 4 2HB LEU 4 7.756 1.679 -2.457 21 HG LEU 4 HG LEU 4 6.071 1.916 -4.043 22 1HD1 LEU 4 1HD2 LEU 4 4.167 1.084 -2.877 23 2HD1 LEU 4 2HD2 LEU 4 3.756 2.691 -3.475 24 3HD1 LEU 4 3HD2 LEU 4 4.164 2.461 -1.774 25 1HD2 LEU 4 1HD1 LEU 4 6.400 4.090 -4.281 26 2HD2 LEU 4 2HD1 LEU 4 6.862 4.198 -2.580 27 3HD2 LEU 4 3HD1 LEU 4 5.177 4.422 -3.053 28 H LYS 5 H LYS 5 6.970 1.366 0.909 29 HA LYS 5 HA LYS 5 9.450 -0.080 1.175 30 1HB LYS 5 1HB LYS 5 9.300 2.250 1.905 31 2HB LYS 5 2HB LYS 5 8.034 1.829 3.047 32 1HG LYS 5 1HG LYS 5 10.740 0.562 3.225 33 2HG LYS 5 2HG LYS 5 10.428 2.160 3.913 34 1HD LYS 5 1HD LYS 5 8.617 1.220 5.266 35 2HD LYS 5 2HD LYS 5 8.936 -0.376 4.582 36 1HE LYS 5 2HE LYS 5 9.958 -0.158 6.780 37 2HE LYS 5 1HE LYS 5 11.190 -0.332 5.531 38 1HZ LYS 5 1HZ LYS 5 10.477 2.400 6.129 39 2HZ LYS 5 2HZ LYS 5 12.003 1.694 5.946 40 3HZ LYS 5 3HZ LYS 5 11.189 1.573 7.424 41 H ILE 6 H ILE 6 6.165 -0.451 2.215 42 HA ILE 6 HA ILE 6 6.435 -1.925 4.545 43 HB ILE 6 HB ILE 6 4.237 -1.211 3.691 44 1HG1 ILE 6 1HG1 ILE 6 4.600 -3.287 5.176 45 2HG1 ILE 6 2HG1 ILE 6 3.014 -3.056 4.455 46 1HG2 ILE 6 1HG2 ILE 6 3.188 -2.123 1.806 47 2HG2 ILE 6 2HG2 ILE 6 4.397 -3.398 1.647 48 3HG2 ILE 6 3HG2 ILE 6 4.829 -1.726 1.295 49 1HD1 ILE 6 1HD1 ILE 6 4.721 -4.625 2.746 50 2HD1 ILE 6 2HD1 ILE 6 3.143 -5.017 3.429 51 3HD1 ILE 6 3HD1 ILE 6 4.607 -5.330 4.359 52 H LEU 7 H LEU 7 6.262 -3.033 1.218 53 HA LEU 7 HA LEU 7 7.254 -5.642 1.988 54 1HB LEU 7 2HB LEU 7 6.159 -6.420 0.190 55 2HB LEU 7 1HB LEU 7 5.408 -4.838 0.124 56 HG LEU 7 HG LEU 7 7.465 -4.237 -1.391 57 1HD1 LEU 7 1HD1 LEU 7 7.558 -6.681 -2.721 58 2HD1 LEU 7 2HD1 LEU 7 7.776 -7.083 -1.015 59 3HD1 LEU 7 3HD1 LEU 7 8.857 -5.924 -1.790 60 1HD2 LEU 7 1HD2 LEU 7 5.389 -4.038 -2.358 61 2HD2 LEU 7 2HD2 LEU 7 4.974 -5.733 -2.076 62 3HD2 LEU 7 3HD2 LEU 7 6.124 -5.303 -3.343 63 H ASN 8 H ASN 8 8.355 -2.638 1.060 64 HA ASN 8 HA ASN 8 10.387 -1.802 0.464 65 1HB ASN 8 2HB ASN 8 11.120 -3.314 2.329 66 2HB ASN 8 1HB ASN 8 11.463 -4.552 1.126 67 1HD2 ASN 8 1HD2 ASN 8 12.094 -1.593 -0.232 68 2HD2 ASN 8 2HD2 ASN 8 13.799 -1.511 0.082 69 H ASN 9 H ASN 9 8.731 -2.918 -1.555 70 HA ASN 9 HA ASN 9 8.727 -3.416 -3.762 71 1HB ASN 9 2HB ASN 9 11.638 -2.622 -3.559 72 2HB ASN 9 1HB ASN 9 10.740 -2.815 -5.063 73 1HD2 ASN 9 2HD2 ASN 9 8.549 -1.648 -2.954 74 2HD2 ASN 9 1HD2 ASN 9 8.722 0.044 -3.244 75 H ILE 10 H ILE 10 8.618 -5.305 -4.739 76 HA ILE 10 HA ILE 10 9.683 -7.660 -3.725 77 HB ILE 10 HB ILE 10 9.039 -8.737 -5.819 78 1HG1 ILE 10 1HG1 ILE 10 9.736 -6.853 -7.325 79 2HG1 ILE 10 2HG1 ILE 10 8.146 -7.516 -7.689 80 1HG2 ILE 10 1HG2 ILE 10 6.600 -7.659 -5.788 81 2HG2 ILE 10 2HG2 ILE 10 7.242 -6.941 -4.310 82 3HG2 ILE 10 3HG2 ILE 10 7.211 -8.696 -4.497 83 1HD1 ILE 10 1HD1 ILE 10 7.575 -5.355 -7.794 84 2HD1 ILE 10 2HD1 ILE 10 8.915 -4.838 -6.769 85 3HD1 ILE 10 3HD1 ILE 10 7.454 -5.506 -6.042 86 H ARG 11 H ARG 11 11.056 -5.400 -6.000 87 HA ARG 11 HA ARG 11 13.014 -7.044 -7.150 88 1HB ARG 11 1HB ARG 11 14.219 -4.912 -7.616 89 2HB ARG 11 2HB ARG 11 12.529 -4.888 -8.101 90 1HG ARG 11 2HG ARG 11 11.979 -3.666 -6.030 91 2HG ARG 11 1HG ARG 11 13.697 -3.632 -5.625 92 1HD ARG 11 1HD ARG 11 12.429 -2.416 -8.077 93 2HD ARG 11 2HD ARG 11 12.984 -1.534 -6.656 94 HE ARG 11 HE ARG 11 14.568 -2.346 -8.835 95 1HH1 ARG 11 1HH1 ARG 11 14.655 -2.150 -5.356 96 2HH1 ARG 11 2HH1 ARG 11 16.379 -2.007 -5.282 97 1HH2 ARG 11 1HH2 ARG 11 16.836 -2.159 -8.744 98 2HH2 ARG 11 2HH2 ARG 11 17.618 -2.012 -7.205 99 H THR 12 H THR 12 13.192 -4.917 -4.305 100 HA THR 12 HA THR 12 15.864 -5.710 -3.646 101 HB THR 12 HB THR 12 13.806 -4.249 -1.976 102 HG1 THR 12 1HG THR 12 14.544 -2.474 -2.916 103 1HG2 THR 12 1HG2 THR 12 15.825 -5.450 -0.843 104 2HG2 THR 12 2HG2 THR 12 15.447 -3.782 -0.410 105 3HG2 THR 12 3HG2 THR 12 16.763 -4.124 -1.534 106 H LEU 13 H LEU 13 12.631 -6.586 -2.549 107 HA LEU 13 HA LEU 13 13.378 -8.128 -0.330 108 1HB LEU 13 1HB LEU 13 11.083 -7.325 -0.790 109 2HB LEU 13 2HB LEU 13 10.964 -8.485 -2.100 110 HG LEU 13 HG LEU 13 11.423 -9.277 0.778 111 1HD1 LEU 13 1HD1 LEU 13 9.101 -9.722 0.978 112 2HD1 LEU 13 2HD1 LEU 13 8.820 -9.358 -0.724 113 3HD1 LEU 13 3HD1 LEU 13 9.260 -8.066 0.392 114 1HD2 LEU 13 1HD2 LEU 13 10.587 -11.469 -0.054 115 2HD2 LEU 13 2HD2 LEU 13 12.133 -10.980 -0.757 116 3HD2 LEU 13 3HD2 LEU 13 10.644 -10.818 -1.692 117 H ARG 14 H ARG 14 12.551 -9.172 -3.633 118 HA ARG 14 HA ARG 14 12.873 -11.862 -3.435 119 1HB ARG 14 2HB ARG 14 12.128 -10.799 -5.461 120 2HB ARG 14 1HB ARG 14 13.685 -10.013 -5.674 121 1HG ARG 14 2HG ARG 14 14.730 -12.203 -6.017 122 2HG ARG 14 1HG ARG 14 13.145 -12.966 -5.854 123 1HD ARG 14 1HD ARG 14 12.324 -11.727 -7.765 124 2HD ARG 14 2HD ARG 14 13.863 -10.883 -7.906 125 HE ARG 14 HE ARG 14 14.598 -12.649 -9.134 126 1HH1 ARG 14 1HH1 ARG 14 12.124 -13.806 -6.965 127 2HH1 ARG 14 2HH1 ARG 14 12.205 -15.437 -7.541 128 1HH2 ARG 14 1HH2 ARG 14 14.708 -14.792 -9.894 129 2HH2 ARG 14 2HH2 ARG 14 13.674 -15.998 -9.205 130 H ALA 15 H ALA 15 15.369 -9.428 -3.501 131 HA ALA 15 HA ALA 15 17.518 -11.331 -3.827 132 1HB ALA 15 1HB ALA 15 18.978 -9.444 -3.717 133 2HB ALA 15 2HB ALA 15 17.685 -8.426 -3.088 134 3HB ALA 15 3HB ALA 15 17.605 -9.032 -4.741 135 H GLN 16 H GLN 16 16.412 -9.166 -1.214 136 HA GLN 16 HA GLN 16 18.337 -10.044 0.665 137 1HB GLN 16 2HB GLN 16 16.922 -8.966 2.357 138 2HB GLN 16 1HB GLN 16 17.118 -7.934 0.946 139 1HG GLN 16 2HG GLN 16 14.922 -8.642 0.138 140 2HG GLN 16 1HG GLN 16 14.722 -9.642 1.573 141 1HE2 GLN 16 2HE2 GLN 16 13.823 -6.835 0.242 142 2HE2 GLN 16 1HE2 GLN 16 13.522 -5.892 1.668 143 H ALA 17 H ALA 17 15.240 -11.190 -0.289 144 HA ALA 17 HA ALA 17 15.031 -13.136 1.841 145 1HB ALA 17 1HB ALA 17 12.904 -12.554 1.355 146 2HB ALA 17 2HB ALA 17 13.074 -13.841 0.160 147 3HB ALA 17 3HB ALA 17 13.284 -12.154 -0.322 148 H ARG 18 H ARG 18 16.176 -12.878 -1.401 149 HA ARG 18 HA ARG 18 15.988 -15.365 -2.475 150 1HB ARG 18 2HB ARG 18 17.228 -13.355 -3.405 151 2HB ARG 18 1HB ARG 18 18.598 -13.846 -2.420 152 1HG ARG 18 1HG ARG 18 18.944 -14.644 -4.638 153 2HG ARG 18 2HG ARG 18 18.590 -16.031 -3.605 154 1HD ARG 18 1HD ARG 18 16.507 -14.625 -5.259 155 2HD ARG 18 2HD ARG 18 17.433 -16.007 -5.846 156 HE ARG 18 HE ARG 18 15.169 -16.103 -4.179 157 1HH1 ARG 18 1HH1 ARG 18 18.309 -17.574 -4.544 158 2HH1 ARG 18 2HH1 ARG 18 17.840 -19.063 -3.796 159 1HH2 ARG 18 1HH2 ARG 18 14.546 -18.060 -3.194 160 2HH2 ARG 18 2HH2 ARG 18 15.701 -19.339 -3.028 161 H GLU 19 H GLU 19 17.923 -14.384 0.252 162 HA GLU 19 HA GLU 19 19.356 -16.895 0.399 163 1HB GLU 19 2HB GLU 19 19.217 -14.576 2.334 164 2HB GLU 19 1HB GLU 19 20.288 -15.960 2.495 165 1HG GLU 19 1HG GLU 19 20.314 -14.016 0.199 166 2HG GLU 19 2HG GLU 19 21.406 -13.972 1.580 167 H SER 20 H SER 20 16.396 -16.948 0.549 168 HA SER 20 HA SER 20 16.171 -18.806 2.698 169 1HB SER 20 2HB SER 20 16.034 -16.643 3.944 170 2HB SER 20 1HB SER 20 14.599 -16.236 3.004 171 HG SER 20 HG SER 20 13.640 -17.216 4.613 172 H THR 21 H THR 21 13.321 -18.539 3.044 173 HA THR 21 HA THR 21 12.461 -19.570 0.445 174 HB THR 21 HB THR 21 10.473 -20.421 1.715 175 HG1 THR 21 1HG THR 21 11.016 -20.489 4.109 176 1HG2 THR 21 1HG2 THR 21 13.164 -21.359 1.736 177 2HG2 THR 21 2HG2 THR 21 11.672 -22.297 1.786 178 3HG2 THR 21 3HG2 THR 21 12.424 -21.755 3.286 179 H LEU 22 H LEU 22 9.871 -19.245 0.296 180 HA LEU 22 HA LEU 22 9.546 -16.497 -0.300 181 1HB LEU 22 1HB LEU 22 7.773 -17.150 -1.497 182 2HB LEU 22 2HB LEU 22 8.343 -18.777 -1.176 183 HG LEU 22 HG LEU 22 6.324 -17.373 0.563 184 1HD1 LEU 22 1HD1 LEU 22 4.851 -19.172 -0.734 185 2HD1 LEU 22 2HD1 LEU 22 6.017 -18.799 -2.004 186 3HD1 LEU 22 3HD1 LEU 22 5.044 -17.510 -1.293 187 1HD2 LEU 22 1HD2 LEU 22 7.791 -19.549 1.153 188 2HD2 LEU 22 2HD2 LEU 22 6.414 -20.301 0.347 189 3HD2 LEU 22 3HD2 LEU 22 6.156 -19.265 1.752 190 H GLU 23 H GLU 23 9.196 -18.289 2.540 191 HA GLU 23 HA GLU 23 7.066 -17.366 3.903 192 1HB GLU 23 1HB GLU 23 8.361 -17.506 5.960 193 2HB GLU 23 2HB GLU 23 8.794 -18.825 4.883 194 1HG GLU 23 1HG GLU 23 10.807 -17.627 4.212 195 2HG GLU 23 2HG GLU 23 10.372 -16.295 5.281 196 H THR 24 H THR 24 9.769 -15.488 2.818 197 HA THR 24 HA THR 24 9.625 -13.223 4.406 198 HB THR 24 HB THR 24 11.388 -13.429 2.781 199 HG1 THR 24 1HG THR 24 11.324 -11.319 2.800 200 1HG2 THR 24 1HG2 THR 24 10.220 -14.663 1.054 201 2HG2 THR 24 2HG2 THR 24 10.939 -13.209 0.361 202 3HG2 THR 24 3HG2 THR 24 9.209 -13.261 0.700 203 H LEU 25 H LEU 25 7.692 -14.093 1.551 204 HA LEU 25 HA LEU 25 6.202 -11.690 1.544 205 1HB LEU 25 2HB LEU 25 4.517 -13.070 0.196 206 2HB LEU 25 1HB LEU 25 6.094 -12.772 -0.494 207 HG LEU 25 HG LEU 25 6.763 -15.090 0.194 208 1HD1 LEU 25 1HD2 LEU 25 4.197 -16.261 0.331 209 2HD1 LEU 25 2HD2 LEU 25 4.266 -14.998 1.560 210 3HD1 LEU 25 3HD2 LEU 25 5.482 -16.285 1.544 211 1HD2 LEU 25 1HD1 LEU 25 6.327 -15.173 -2.007 212 2HD2 LEU 25 2HD1 LEU 25 4.780 -14.341 -1.839 213 3HD2 LEU 25 3HD1 LEU 25 4.895 -16.067 -1.496 214 H GLU 26 H GLU 26 5.610 -14.905 2.937 215 HA GLU 26 HA GLU 26 3.067 -14.433 3.938 216 1HB GLU 26 2HB GLU 26 3.856 -16.627 4.156 217 2HB GLU 26 1HB GLU 26 5.366 -16.118 4.907 218 1HG GLU 26 1HG GLU 26 4.085 -15.457 6.919 219 2HG GLU 26 2HG GLU 26 2.631 -16.102 6.161 220 H GLU 27 H GLU 27 6.156 -13.203 4.854 221 HA GLU 27 HA GLU 27 5.270 -12.138 7.394 222 1HB GLU 27 2HB GLU 27 7.566 -12.847 7.219 223 2HB GLU 27 1HB GLU 27 7.830 -11.809 5.825 224 1HG GLU 27 1HG GLU 27 7.528 -9.839 7.212 225 2HG GLU 27 2HG GLU 27 7.215 -10.860 8.614 226 H MET 28 H MET 28 6.368 -10.730 4.295 227 HA MET 28 HA MET 28 5.347 -8.137 5.085 228 1HB MET 28 2HB MET 28 6.785 -9.024 2.586 229 2HB MET 28 1HB MET 28 6.314 -7.364 2.931 230 1HG MET 28 1HG MET 28 7.726 -7.404 4.942 231 2HG MET 28 2HG MET 28 8.231 -9.042 4.534 232 1HE MET 28 1HE MET 28 10.910 -8.273 4.540 233 2HE MET 28 2HE MET 28 10.188 -6.794 5.171 234 3HE MET 28 3HE MET 28 11.358 -6.712 3.854 235 H LEU 29 H LEU 29 4.703 -10.542 2.583 236 HA LEU 29 HA LEU 29 2.732 -9.214 1.108 237 1HB LEU 29 1HB LEU 29 3.863 -11.418 0.600 238 2HB LEU 29 2HB LEU 29 2.797 -12.163 1.777 239 HG LEU 29 HG LEU 29 0.880 -11.743 0.417 240 1HD1 LEU 29 1HD2 LEU 29 0.773 -10.373 -1.409 241 2HD1 LEU 29 2HD2 LEU 29 2.482 -10.567 -1.791 242 3HD1 LEU 29 3HD2 LEU 29 1.988 -9.520 -0.461 243 1HD2 LEU 29 1HD1 LEU 29 3.149 -12.747 -1.299 244 2HD2 LEU 29 2HD1 LEU 29 1.434 -13.065 -1.550 245 3HD2 LEU 29 3HD1 LEU 29 2.250 -13.708 -0.122 246 H GLU 30 H GLU 30 2.531 -10.955 4.144 247 HA GLU 30 HA GLU 30 -0.297 -10.970 4.375 248 1HB GLU 30 1HB GLU 30 1.134 -12.477 5.672 249 2HB GLU 30 2HB GLU 30 1.815 -11.104 6.531 250 1HG GLU 30 1HG GLU 30 -0.431 -10.595 7.421 251 2HG GLU 30 2HG GLU 30 -1.041 -12.047 6.632 252 H LYS 31 H LYS 31 2.179 -8.636 5.204 253 HA LYS 31 HA LYS 31 0.327 -7.010 6.747 254 1HB LYS 31 1HB LYS 31 3.081 -6.177 5.867 255 2HB LYS 31 2HB LYS 31 2.177 -5.652 7.284 256 1HG LYS 31 2HG LYS 31 3.351 -8.381 6.821 257 2HG LYS 31 1HG LYS 31 3.967 -7.148 7.925 258 1HD LYS 31 1HD LYS 31 2.073 -7.345 9.339 259 2HD LYS 31 2HD LYS 31 1.194 -8.301 8.142 260 1HE LYS 31 1HE LYS 31 2.030 -9.717 9.939 261 2HE LYS 31 2HE LYS 31 2.804 -10.120 8.404 262 1HZ LYS 31 1HZ LYS 31 4.651 -10.000 9.662 263 2HZ LYS 31 2HZ LYS 31 3.953 -8.985 10.821 264 3HZ LYS 31 3HZ LYS 31 4.525 -8.338 9.366 265 H LEU 32 H LEU 32 1.870 -7.063 3.641 266 HA LEU 32 HA LEU 32 1.052 -4.495 2.775 267 1HB LEU 32 2HB LEU 32 2.902 -5.723 1.762 268 2HB LEU 32 1HB LEU 32 1.783 -6.949 1.194 269 HG LEU 32 HG LEU 32 0.733 -5.355 -0.307 270 1HD1 LEU 32 1HD2 LEU 32 2.248 -3.072 -0.294 271 2HD1 LEU 32 2HD2 LEU 32 2.064 -3.431 1.424 272 3HD1 LEU 32 3HD2 LEU 32 0.638 -3.248 0.404 273 1HD2 LEU 32 1HD1 LEU 32 3.148 -4.490 -1.299 274 2HD2 LEU 32 2HD1 LEU 32 2.369 -6.030 -1.659 275 3HD2 LEU 32 3HD1 LEU 32 3.578 -5.930 -0.380 276 H GLU 33 H GLU 33 -0.515 -7.544 3.092 277 HA GLU 33 HA GLU 33 -2.648 -6.833 1.245 278 1HB GLU 33 2HB GLU 33 -3.642 -8.971 1.789 279 2HB GLU 33 1HB GLU 33 -1.937 -9.189 1.428 280 1HG GLU 33 1HG GLU 33 -1.402 -9.498 3.716 281 2HG GLU 33 2HG GLU 33 -2.998 -8.958 4.231 282 H VAL 34 H VAL 34 -2.219 -7.300 4.750 283 HA VAL 34 HA VAL 34 -4.849 -6.629 5.476 284 HB VAL 34 HB VAL 34 -3.992 -6.172 7.722 285 1HG1 VAL 34 1HG1 VAL 34 -3.719 -8.355 8.184 286 2HG1 VAL 34 2HG1 VAL 34 -2.387 -8.539 7.043 287 3HG1 VAL 34 3HG1 VAL 34 -4.053 -8.567 6.466 288 1HG2 VAL 34 1HG2 VAL 34 -1.918 -5.020 7.035 289 2HG2 VAL 34 2HG2 VAL 34 -1.243 -6.578 6.553 290 3HG2 VAL 34 3HG2 VAL 34 -1.638 -6.273 8.245 291 H VAL 35 H VAL 35 -2.007 -4.675 4.785 292 HA VAL 35 HA VAL 35 -2.910 -2.226 5.786 293 HB VAL 35 HB VAL 35 -0.604 -2.545 4.942 294 1HG1 VAL 35 1HG1 VAL 35 -0.622 -3.737 3.001 295 2HG1 VAL 35 2HG1 VAL 35 -0.461 -2.106 2.350 296 3HG1 VAL 35 3HG1 VAL 35 -2.036 -2.900 2.367 297 1HG2 VAL 35 1HG2 VAL 35 -1.019 -0.375 3.236 298 2HG2 VAL 35 2HG2 VAL 35 -0.624 -0.326 4.955 299 3HG2 VAL 35 3HG2 VAL 35 -2.309 -0.288 4.437 300 H VAL 36 H VAL 36 -3.483 -3.853 2.680 301 HA VAL 36 HA VAL 36 -5.179 -1.713 1.756 302 HB VAL 36 HB VAL 36 -5.743 -4.236 0.449 303 1HG1 VAL 36 1HG2 VAL 36 -6.041 -2.853 -1.266 304 2HG1 VAL 36 2HG2 VAL 36 -4.427 -2.165 -1.100 305 3HG1 VAL 36 3HG2 VAL 36 -5.755 -1.543 -0.116 306 1HG2 VAL 36 1HG1 VAL 36 -2.933 -3.668 0.998 307 2HG2 VAL 36 2HG1 VAL 36 -3.303 -3.863 -0.716 308 3HG2 VAL 36 3HG1 VAL 36 -3.703 -5.148 0.423 309 H ASN 37 H ASN 37 -5.572 -4.830 3.350 310 HA ASN 37 HA ASN 37 -8.244 -5.307 3.143 311 1HB ASN 37 1HB ASN 37 -6.803 -6.751 4.463 312 2HB ASN 37 2HB ASN 37 -6.537 -5.467 5.641 313 1HD2 ASN 37 1HD2 ASN 37 -7.582 -5.787 7.438 314 2HD2 ASN 37 2HD2 ASN 37 -9.153 -6.508 7.602 315 H GLU 38 H GLU 38 -6.636 -2.858 5.069 316 HA GLU 38 HA GLU 38 -9.046 -1.880 6.294 317 1HB GLU 38 1HB GLU 38 -6.320 -0.597 6.024 318 2HB GLU 38 2HB GLU 38 -7.625 -0.002 7.040 319 1HG GLU 38 1HG GLU 38 -7.537 -2.057 8.357 320 2HG GLU 38 2HG GLU 38 -6.225 -2.649 7.341 321 H ARG 39 H ARG 39 -7.001 -0.968 3.575 322 HA ARG 39 HA ARG 39 -8.494 1.363 2.871 323 1HB ARG 39 1HB ARG 39 -6.328 -0.245 1.562 324 2HB ARG 39 2HB ARG 39 -7.169 1.002 0.655 325 1HG ARG 39 1HG ARG 39 -5.145 1.914 1.559 326 2HG ARG 39 2HG ARG 39 -6.522 2.647 2.378 327 1HD ARG 39 2HD ARG 39 -6.120 0.673 4.078 328 2HD ARG 39 1HD ARG 39 -4.494 0.717 3.393 329 HE ARG 39 HE ARG 39 -4.111 2.573 4.645 330 1HH1 ARG 39 1HH1 ARG 39 -7.532 2.314 4.066 331 2HH1 ARG 39 2HH1 ARG 39 -7.933 3.693 5.036 332 1HH2 ARG 39 1HH2 ARG 39 -4.625 4.402 5.917 333 2HH2 ARG 39 2HH2 ARG 39 -6.280 4.886 6.081 334 H ARG 40 H ARG 40 -8.256 -1.880 1.424 335 HA ARG 40 HA ARG 40 -10.006 -1.618 -0.659 336 1HB ARG 40 2HB ARG 40 -9.532 -3.983 1.163 337 2HB ARG 40 1HB ARG 40 -10.555 -4.077 -0.263 338 1HG ARG 40 1HG ARG 40 -7.654 -3.264 -0.330 339 2HG ARG 40 2HG ARG 40 -8.232 -4.912 -0.605 340 1HD ARG 40 2HD ARG 40 -7.873 -3.847 -2.727 341 2HD ARG 40 1HD ARG 40 -9.605 -4.060 -2.485 342 HE ARG 40 HE ARG 40 -8.847 -1.501 -1.599 343 1HH1 ARG 40 1HH1 ARG 40 -9.229 -3.333 -4.536 344 2HH1 ARG 40 2HH1 ARG 40 -9.581 -1.944 -5.509 345 1HH2 ARG 40 1HH2 ARG 40 -9.311 0.332 -2.870 346 2HH2 ARG 40 2HH2 ARG 40 -9.626 0.139 -4.562 347 H GLU 41 H GLU 41 -10.748 -2.066 2.753 348 HA GLU 41 HA GLU 41 -13.598 -2.218 2.239 349 1HB GLU 41 1HB GLU 41 -12.057 -2.137 4.832 350 2HB GLU 41 2HB GLU 41 -13.792 -2.391 4.697 351 1HG GLU 41 2HG GLU 41 -13.400 -4.444 3.440 352 2HG GLU 41 1HG GLU 41 -11.659 -4.189 3.565 353 H GLU 42 H GLU 42 -11.385 0.105 3.814 354 HA GLU 42 HA GLU 42 -13.561 1.972 4.240 355 1HB GLU 42 1HB GLU 42 -10.609 2.217 4.827 356 2HB GLU 42 2HB GLU 42 -11.835 3.382 5.305 357 1HG GLU 42 1HG GLU 42 -12.918 1.677 6.681 358 2HG GLU 42 2HG GLU 42 -11.681 0.514 6.206 359 H GLU 43 H GLU 43 -10.597 1.849 2.311 360 HA GLU 43 HA GLU 43 -10.809 4.411 1.205 361 1HB GLU 43 1HB GLU 43 -8.776 3.017 1.129 362 2HB GLU 43 2HB GLU 43 -9.559 1.976 -0.048 363 1HG GLU 43 1HG GLU 43 -7.981 3.634 -1.006 364 2HG GLU 43 2HG GLU 43 -9.611 3.704 -1.672 365 H SER 44 H SER 44 -11.968 1.274 -0.008 366 HA SER 44 HA SER 44 -13.058 2.199 -2.419 367 1HB SER 44 1HB SER 44 -12.851 -0.205 -1.889 368 2HB SER 44 2HB SER 44 -14.074 -0.033 -0.630 369 HG SER 44 HG SER 44 -14.377 -0.298 -3.325 370 H ALA 45 H ALA 45 -14.157 2.236 0.872 371 HA ALA 45 HA ALA 45 -16.831 3.040 0.465 372 1HB ALA 45 1HB ALA 45 -16.169 4.089 2.894 373 2HB ALA 45 2HB ALA 45 -14.943 2.831 2.705 374 3HB ALA 45 3HB ALA 45 -16.659 2.416 2.621 375 H ALA 46 H ALA 46 -13.815 4.832 0.998 376 HA ALA 46 HA ALA 46 -14.895 7.416 1.095 377 1HB ALA 46 1HB ALA 46 -12.565 6.797 1.725 378 2HB ALA 46 2HB ALA 46 -12.664 8.206 0.669 379 3HB ALA 46 3HB ALA 46 -12.188 6.641 0.009 380 H ALA 47 H ALA 47 -13.866 5.393 -1.599 381 HA ALA 47 HA ALA 47 -14.118 7.341 -3.632 382 1HB ALA 47 1HB ALA 47 -13.097 5.688 -4.713 383 2HB ALA 47 2HB ALA 47 -14.647 4.849 -4.793 384 3HB ALA 47 3HB ALA 47 -13.539 4.530 -3.459 385 H ALA 48 H ALA 48 -16.358 4.918 -2.351 386 HA ALA 48 HA ALA 48 -18.459 5.449 -4.178 387 1HB ALA 48 1HB ALA 48 -19.541 4.522 -1.725 388 2HB ALA 48 2HB ALA 48 -18.001 3.702 -1.983 389 3HB ALA 48 3HB ALA 48 -19.261 3.618 -3.214 390 H GLU 49 H GLU 49 -17.628 6.733 -1.008 391 HA GLU 49 HA GLU 49 -19.973 8.204 -0.541 392 1HB GLU 49 1HB GLU 49 -18.343 7.715 1.215 393 2HB GLU 49 2HB GLU 49 -17.152 8.728 0.412 394 1HG GLU 49 1HG GLU 49 -18.131 9.889 2.289 395 2HG GLU 49 2HG GLU 49 -18.568 10.684 0.777 396 H VAL 50 H VAL 50 -16.866 9.196 -1.982 397 HA VAL 50 HA VAL 50 -17.648 11.876 -2.450 398 HB VAL 50 HB VAL 50 -15.730 11.979 -4.015 399 1HG1 VAL 50 1HG2 VAL 50 -14.025 11.697 -2.352 400 2HG1 VAL 50 2HG2 VAL 50 -15.038 10.581 -1.437 401 3HG1 VAL 50 3HG2 VAL 50 -15.487 12.283 -1.560 402 1HG2 VAL 50 1HG1 VAL 50 -14.236 9.946 -4.077 403 2HG2 VAL 50 2HG1 VAL 50 -15.718 9.843 -5.027 404 3HG2 VAL 50 3HG1 VAL 50 -15.611 9.026 -3.467 405 H GLU 51 H GLU 51 -17.828 8.956 -4.417 406 HA GLU 51 HA GLU 51 -18.914 8.469 -6.349 407 1HB GLU 51 2HB GLU 51 -20.806 9.418 -4.936 408 2HB GLU 51 1HB GLU 51 -20.597 10.919 -5.825 409 1HG GLU 51 1HG GLU 51 -21.094 9.756 -7.913 410 2HG GLU 51 2HG GLU 51 -21.300 8.248 -7.024 411 H GLU 52 H GLU 52 -20.215 11.039 -7.757 412 HA GLU 52 HA GLU 52 -18.108 12.630 -8.678 413 1HB GLU 52 1HB GLU 52 -17.235 10.565 -9.651 414 2HB GLU 52 2HB GLU 52 -18.764 10.285 -10.472 415 1HG GLU 52 1HG GLU 52 -18.426 12.312 -11.793 416 2HG GLU 52 2HG GLU 52 -16.889 12.586 -10.973 417 H ARG 53 H ARG 53 -21.162 11.060 -9.412 418 HA ARG 53 HA ARG 53 -22.140 12.622 -11.449 419 1HB ARG 53 1HB ARG 53 -23.304 10.653 -10.592 420 2HB ARG 53 2HB ARG 53 -23.675 11.504 -9.099 421 1HG ARG 53 2HG ARG 53 -25.064 13.080 -10.312 422 2HG ARG 53 1HG ARG 53 -24.656 12.288 -11.836 423 1HD ARG 53 2HD ARG 53 -25.703 10.227 -11.049 424 2HD ARG 53 1HD ARG 53 -26.099 11.007 -9.519 425 HE ARG 53 HE ARG 53 -27.954 11.819 -10.541 426 1HH1 ARG 53 1HH1 ARG 53 -25.511 11.347 -12.984 427 2HH1 ARG 53 2HH1 ARG 53 -26.526 11.881 -14.282 428 1HH2 ARG 53 1HH2 ARG 53 -29.294 12.519 -12.245 429 2HH2 ARG 53 2HH2 ARG 53 -28.674 12.547 -13.862 430 H THR 54 H THR 54 -21.960 13.411 -8.020 431 HA THR 54 HA THR 54 -22.326 16.200 -8.633 432 HB THR 54 HB THR 54 -24.655 15.611 -8.477 433 HG1 THR 54 1HG THR 54 -25.090 16.789 -6.356 434 1HG2 THR 54 1HG2 THR 54 -25.643 14.436 -6.684 435 2HG2 THR 54 2HG2 THR 54 -24.189 14.567 -5.694 436 3HG2 THR 54 3HG2 THR 54 -24.201 13.513 -7.108 437 H ARG 55 H ARG 55 -21.898 13.675 -6.226 438 HA ARG 55 HA ARG 55 -20.552 13.563 -4.388 439 1HB ARG 55 1HB ARG 55 -19.500 16.287 -5.154 440 2HB ARG 55 2HB ARG 55 -18.699 15.061 -4.177 441 1HG ARG 55 1HG ARG 55 -18.402 13.643 -6.078 442 2HG ARG 55 2HG ARG 55 -19.391 14.704 -7.083 443 1HD ARG 55 1HD ARG 55 -16.708 15.335 -5.869 444 2HD ARG 55 2HD ARG 55 -17.074 15.088 -7.577 445 HE ARG 55 HE ARG 55 -18.663 17.183 -6.632 446 1HH1 ARG 55 1HH1 ARG 55 -15.312 16.466 -7.255 447 2HH1 ARG 55 2HH1 ARG 55 -14.887 18.111 -7.585 448 1HH2 ARG 55 1HH2 ARG 55 -18.112 19.353 -7.065 449 2HH2 ARG 55 2HH2 ARG 55 -16.479 19.752 -7.476 450 H LYS 56 H LYS 56 -20.683 14.099 -2.240 451 HA LYS 56 HA LYS 56 -21.375 15.110 -0.325 452 1HB LYS 56 2HB LYS 56 -20.566 17.228 -1.184 453 2HB LYS 56 1HB LYS 56 -22.029 17.439 -2.136 454 1HG LYS 56 1HG LYS 56 -22.086 18.828 -0.153 455 2HG LYS 56 2HG LYS 56 -23.345 17.593 -0.080 456 1HD LYS 56 2HD LYS 56 -22.270 17.807 2.079 457 2HD LYS 56 1HD LYS 56 -21.895 16.233 1.375 458 1HE LYS 56 1HE LYS 56 -19.722 17.075 0.641 459 2HE LYS 56 2HE LYS 56 -20.096 18.653 1.334 460 1HZ LYS 56 1HZ LYS 56 -20.427 16.552 3.235 461 2HZ LYS 56 2HZ LYS 56 -19.494 17.959 3.340 462 3HZ LYS 56 3HZ LYS 56 -18.856 16.575 2.606 463 H LEU 57 H LEU 57 -23.580 15.505 -3.078 464 HA LEU 57 HA LEU 57 -25.648 14.058 -1.799 465 1HB LEU 57 2HB LEU 57 -25.861 16.136 -0.515 466 2HB LEU 57 1HB LEU 57 -26.035 17.046 -2.003 467 HG LEU 57 HG LEU 57 -28.149 15.865 -2.470 468 1HD1 LEU 57 1HD2 LEU 57 -27.198 14.053 -0.558 469 2HD1 LEU 57 2HD2 LEU 57 -28.743 14.013 -1.406 470 3HD1 LEU 57 3HD2 LEU 57 -28.618 14.814 0.159 471 1HD2 LEU 57 1HD1 LEU 57 -28.558 17.893 -1.453 472 2HD2 LEU 57 2HD1 LEU 57 -27.773 17.416 0.052 473 3HD2 LEU 57 3HD1 LEU 57 -29.365 16.776 -0.351 474 H SER 1 1HT SER 1 -10.591 -10.161 1.305 475 HA SER 1 HA SER 1 -12.778 -8.858 0.084 476 1HB SER 1 1HB SER 1 -11.861 -6.557 0.162 477 2HB SER 1 2HB SER 1 -12.352 -7.122 1.759 478 HG SER 1 HG SER 1 -10.397 -6.543 2.283 479 H GLU 2 H GLU 2 -10.682 -6.919 -1.058 480 HA GLU 2 HA GLU 2 -9.752 -8.724 -3.107 481 1HB GLU 2 1HB GLU 2 -10.671 -6.536 -3.711 482 2HB GLU 2 2HB GLU 2 -9.392 -5.740 -2.804 483 1HG GLU 2 1HG GLU 2 -7.727 -6.671 -4.324 484 2HG GLU 2 2HG GLU 2 -9.005 -7.479 -5.229 485 H ALA 3 H ALA 3 -8.410 -7.061 -0.362 486 HA ALA 3 HA ALA 3 -5.659 -7.322 -1.157 487 1HB ALA 3 1HB ALA 3 -6.702 -6.866 1.631 488 2HB ALA 3 2HB ALA 3 -6.557 -5.585 0.427 489 3HB ALA 3 3HB ALA 3 -5.119 -6.441 0.981 490 H LEU 4 H LEU 4 -7.973 -9.278 0.371 491 HA LEU 4 HA LEU 4 -6.096 -11.104 1.578 492 1HB LEU 4 1HB LEU 4 -9.093 -11.040 1.273 493 2HB LEU 4 2HB LEU 4 -8.247 -12.359 2.064 494 HG LEU 4 HG LEU 4 -7.640 -11.017 3.900 495 1HD1 LEU 4 1HD2 LEU 4 -6.763 -9.071 2.818 496 2HD1 LEU 4 2HD2 LEU 4 -8.016 -8.552 3.946 497 3HD1 LEU 4 3HD2 LEU 4 -8.359 -8.621 2.217 498 1HD2 LEU 4 1HD1 LEU 4 -10.039 -9.566 3.910 499 2HD2 LEU 4 2HD1 LEU 4 -9.722 -11.143 4.639 500 3HD2 LEU 4 3HD1 LEU 4 -10.346 -11.039 2.990 501 H LYS 5 H LYS 5 -8.389 -11.015 -1.080 502 HA LYS 5 HA LYS 5 -7.734 -13.639 -2.041 503 1HB LYS 5 1HB LYS 5 -10.006 -12.720 -2.226 504 2HB LYS 5 2HB LYS 5 -9.406 -11.450 -3.281 505 1HG LYS 5 2HG LYS 5 -9.020 -14.321 -4.007 506 2HG LYS 5 1HG LYS 5 -10.559 -13.511 -4.306 507 1HD LYS 5 2HD LYS 5 -9.392 -11.794 -5.612 508 2HD LYS 5 1HD LYS 5 -7.861 -12.624 -5.321 509 1HE LYS 5 2HE LYS 5 -8.700 -14.597 -6.492 510 2HE LYS 5 1HE LYS 5 -10.240 -13.785 -6.771 511 1HZ LYS 5 1HZ LYS 5 -9.355 -12.442 -8.358 512 2HZ LYS 5 2HZ LYS 5 -8.357 -13.790 -8.574 513 3HZ LYS 5 3HZ LYS 5 -7.799 -12.459 -7.693 514 H ILE 6 H ILE 6 -6.611 -10.399 -2.630 515 HA ILE 6 HA ILE 6 -5.651 -10.554 -5.221 516 HB ILE 6 HB ILE 6 -5.492 -8.459 -4.007 517 1HG1 ILE 6 2HG1 ILE 6 -2.760 -9.615 -4.599 518 2HG1 ILE 6 1HG1 ILE 6 -3.825 -8.811 -5.738 519 1HG2 ILE 6 1HG2 ILE 6 -5.059 -9.656 -1.795 520 2HG2 ILE 6 2HG2 ILE 6 -4.269 -8.104 -2.065 521 3HG2 ILE 6 3HG2 ILE 6 -3.357 -9.601 -2.250 522 1HD1 ILE 6 1HD1 ILE 6 -3.588 -6.927 -3.812 523 2HD1 ILE 6 2HD1 ILE 6 -2.594 -7.008 -5.268 524 3HD1 ILE 6 3HD1 ILE 6 -2.003 -7.699 -3.752 525 H LEU 7 H LEU 7 -3.972 -11.242 -2.220 526 HA LEU 7 HA LEU 7 -1.946 -12.744 -3.634 527 1HB LEU 7 1HB LEU 7 -0.568 -12.171 -1.942 528 2HB LEU 7 2HB LEU 7 -1.810 -10.999 -1.550 529 HG LEU 7 HG LEU 7 -2.748 -12.991 -0.079 530 1HD1 LEU 7 1HD1 LEU 7 -0.308 -13.808 0.894 531 2HD1 LEU 7 2HD1 LEU 7 -0.079 -13.861 -0.856 532 3HD1 LEU 7 3HD1 LEU 7 -1.396 -14.771 -0.115 533 1HD2 LEU 7 1HD2 LEU 7 -0.731 -10.884 0.419 534 2HD2 LEU 7 2HD2 LEU 7 -0.974 -12.084 1.688 535 3HD2 LEU 7 3HD2 LEU 7 -2.335 -11.114 1.120 536 H ASN 8 H ASN 8 -4.927 -13.192 -2.329 537 HA ASN 8 HA ASN 8 -6.164 -15.000 -1.716 538 1HB ASN 8 2HB ASN 8 -5.236 -15.884 -3.854 539 2HB ASN 8 1HB ASN 8 -3.909 -16.605 -2.946 540 1HD2 ASN 8 2HD2 ASN 8 -4.155 -18.674 -2.612 541 2HD2 ASN 8 1HD2 ASN 8 -5.661 -19.506 -2.365 542 H ASN 9 H ASN 9 -4.381 -13.901 0.190 543 HA ASN 9 HA ASN 9 -3.612 -14.259 2.286 544 1HB ASN 9 1HB ASN 9 -5.062 -16.894 1.976 545 2HB ASN 9 2HB ASN 9 -4.442 -16.254 3.495 546 1HD2 ASN 9 1HD2 ASN 9 -5.451 -13.626 1.772 547 2HD2 ASN 9 2HD2 ASN 9 -7.060 -13.500 2.381 548 H ILE 10 H ILE 10 -1.667 -14.723 3.023 549 HA ILE 10 HA ILE 10 0.288 -16.041 1.546 550 HB ILE 10 HB ILE 10 1.643 -15.973 3.613 551 1HG1 ILE 10 2HG1 ILE 10 -0.940 -14.955 4.816 552 2HG1 ILE 10 1HG1 ILE 10 -0.106 -16.447 5.239 553 1HG2 ILE 10 1HG2 ILE 10 1.209 -13.385 3.944 554 2HG2 ILE 10 2HG2 ILE 10 0.189 -13.621 2.523 555 3HG2 ILE 10 3HG2 ILE 10 1.907 -14.024 2.453 556 1HD1 ILE 10 1HD1 ILE 10 1.505 -14.019 5.496 557 2HD1 ILE 10 2HD1 ILE 10 1.337 -15.401 6.582 558 3HD1 ILE 10 3HD1 ILE 10 0.119 -14.124 6.585 559 H ARG 11 H ARG 11 -1.925 -17.292 3.953 560 HA ARG 11 HA ARG 11 -0.626 -19.647 4.660 561 1HB ARG 11 2HB ARG 11 -2.905 -20.518 5.171 562 2HB ARG 11 1HB ARG 11 -2.586 -18.929 5.851 563 1HG ARG 11 1HG ARG 11 -3.851 -17.891 4.037 564 2HG ARG 11 2HG ARG 11 -4.168 -19.486 3.350 565 1HD ARG 11 1HD ARG 11 -5.042 -18.531 6.072 566 2HD ARG 11 2HD ARG 11 -6.072 -18.678 4.649 567 HE ARG 11 HE ARG 11 -4.862 -21.157 5.146 568 1HH1 ARG 11 1HH1 ARG 11 -7.231 -19.016 6.537 569 2HH1 ARG 11 2HH1 ARG 11 -8.125 -20.290 7.299 570 1HH2 ARG 11 1HH2 ARG 11 -6.031 -22.841 6.144 571 2HH2 ARG 11 2HH2 ARG 11 -7.442 -22.464 7.075 572 H THR 12 H THR 12 -2.979 -19.135 2.035 573 HA THR 12 HA THR 12 -2.630 -21.801 1.021 574 HB THR 12 HB THR 12 -4.035 -19.419 -0.202 575 HG1 THR 12 1HG THR 12 -5.490 -19.933 1.241 576 1HG2 THR 12 1HG2 THR 12 -3.611 -22.209 -1.117 577 2HG2 THR 12 2HG2 THR 12 -3.816 -20.729 -2.053 578 3HG2 THR 12 3HG2 THR 12 -5.221 -21.526 -1.342 579 H LEU 13 H LEU 13 -1.500 -18.576 0.174 580 HA LEU 13 HA LEU 13 -0.370 -19.212 -2.310 581 1HB LEU 13 1HB LEU 13 -0.789 -16.916 -1.560 582 2HB LEU 13 2HB LEU 13 0.479 -17.076 -0.361 583 HG LEU 13 HG LEU 13 1.007 -17.358 -3.317 584 1HD1 LEU 13 1HD1 LEU 13 0.939 -15.162 -3.609 585 2HD1 LEU 13 2HD1 LEU 13 1.934 -14.888 -2.179 586 3HD1 LEU 13 3HD1 LEU 13 0.184 -15.026 -2.020 587 1HD2 LEU 13 1HD2 LEU 13 2.763 -18.297 -2.028 588 2HD2 LEU 13 2HD2 LEU 13 2.743 -16.944 -0.893 589 3HD2 LEU 13 3HD2 LEU 13 3.315 -16.700 -2.543 590 H ARG 14 H ARG 14 1.241 -18.894 0.856 591 HA ARG 14 HA ARG 14 3.803 -19.487 0.165 592 1HB ARG 14 1HB ARG 14 4.190 -20.217 2.410 593 2HB ARG 14 2HB ARG 14 2.997 -18.925 2.463 594 1HG ARG 14 2HG ARG 14 1.216 -20.554 2.731 595 2HG ARG 14 1HG ARG 14 2.386 -21.870 2.622 596 1HD ARG 14 2HD ARG 14 2.219 -19.758 4.764 597 2HD ARG 14 1HD ARG 14 1.861 -21.477 4.936 598 HE ARG 14 HE ARG 14 4.383 -20.283 5.202 599 1HH1 ARG 14 1HH1 ARG 14 2.898 -23.066 3.715 600 2HH1 ARG 14 2HH1 ARG 14 4.336 -24.027 3.783 601 1HH2 ARG 14 1HH2 ARG 14 6.276 -21.542 5.290 602 2HH2 ARG 14 2HH2 ARG 14 6.256 -23.162 4.681 603 H ALA 15 H ALA 15 1.127 -21.710 0.431 604 HA ALA 15 HA ALA 15 2.772 -24.067 0.193 605 1HB ALA 15 1HB ALA 15 -0.203 -23.908 -0.136 606 2HB ALA 15 2HB ALA 15 0.591 -23.946 1.438 607 3HB ALA 15 3HB ALA 15 0.769 -25.303 0.326 608 H GLN 16 H GLN 16 0.352 -22.470 -1.891 609 HA GLN 16 HA GLN 16 0.707 -24.210 -4.087 610 1HB GLN 16 1HB GLN 16 -0.442 -22.493 -5.411 611 2HB GLN 16 2HB GLN 16 -1.256 -22.745 -3.872 612 1HG GLN 16 2HG GLN 16 -0.154 -20.754 -2.977 613 2HG GLN 16 1HG GLN 16 0.625 -20.492 -4.534 614 1HE2 GLN 16 2HE2 GLN 16 -1.793 -19.456 -2.655 615 2HE2 GLN 16 1HE2 GLN 16 -2.903 -18.878 -3.857 616 H ALA 17 H ALA 17 2.347 -21.394 -3.004 617 HA ALA 17 HA ALA 17 3.954 -21.096 -5.388 618 1HB ALA 17 1HB ALA 17 3.831 -18.999 -4.626 619 2HB ALA 17 2HB ALA 17 5.080 -19.483 -3.477 620 3HB ALA 17 3HB ALA 17 3.381 -19.523 -3.003 621 H ARG 18 H ARG 18 4.071 -22.631 -2.301 622 HA ARG 18 HA ARG 18 6.751 -22.828 -1.739 623 1HB ARG 18 2HB ARG 18 4.804 -23.817 -0.439 624 2HB ARG 18 1HB ARG 18 4.856 -25.171 -1.559 625 1HG ARG 18 2HG ARG 18 6.027 -25.781 0.427 626 2HG ARG 18 1HG ARG 18 7.205 -25.580 -0.871 627 1HD ARG 18 1HD ARG 18 6.542 -23.402 1.091 628 2HD ARG 18 2HD ARG 18 7.826 -24.578 1.369 629 HE ARG 18 HE ARG 18 7.995 -22.274 -0.234 630 1HH1 ARG 18 1HH1 ARG 18 8.924 -25.636 -0.248 631 2HH1 ARG 18 2HH1 ARG 18 10.296 -25.383 -1.271 632 1HH2 ARG 18 1HH2 ARG 18 9.801 -21.936 -1.580 633 2HH2 ARG 18 2HH2 ARG 18 10.796 -23.282 -2.028 634 H GLU 19 H GLU 19 4.917 -24.481 -4.213 635 HA GLU 19 HA GLU 19 6.766 -26.429 -4.936 636 1HB GLU 19 2HB GLU 19 4.411 -26.402 -5.632 637 2HB GLU 19 1HB GLU 19 4.718 -24.977 -6.618 638 1HG GLU 19 2HG GLU 19 6.259 -26.236 -7.976 639 2HG GLU 19 1HG GLU 19 5.983 -27.661 -6.982 640 H SER 20 H SER 20 6.432 -23.044 -5.848 641 HA SER 20 HA SER 20 8.782 -23.284 -7.597 642 1HB SER 20 1HB SER 20 8.086 -21.131 -8.551 643 2HB SER 20 2HB SER 20 6.774 -22.305 -8.625 644 HG SER 20 HG SER 20 6.527 -19.967 -7.695 645 H THR 21 H THR 21 9.012 -20.259 -7.346 646 HA THR 21 HA THR 21 10.615 -20.253 -4.875 647 HB THR 21 HB THR 21 10.954 -18.378 -7.222 648 HG1 THR 21 1HG THR 21 12.041 -19.900 -8.222 649 1HG2 THR 21 1HG2 THR 21 12.337 -18.844 -4.666 650 2HG2 THR 21 2HG2 THR 21 12.281 -17.399 -5.679 651 3HG2 THR 21 3HG2 THR 21 13.397 -18.708 -6.070 652 H LEU 22 H LEU 22 10.951 -17.767 -4.167 653 HA LEU 22 HA LEU 22 8.486 -16.898 -3.188 654 1HB LEU 22 2HB LEU 22 9.748 -15.610 -1.880 655 2HB LEU 22 1HB LEU 22 11.136 -16.346 -2.657 656 HG LEU 22 HG LEU 22 9.836 -13.814 -3.632 657 1HD1 LEU 22 1HD1 LEU 22 11.999 -12.824 -2.613 658 2HD1 LEU 22 2HD1 LEU 22 11.978 -14.275 -1.609 659 3HD1 LEU 22 3HD1 LEU 22 10.617 -13.152 -1.567 660 1HD2 LEU 22 1HD2 LEU 22 12.656 -14.530 -4.176 661 2HD2 LEU 22 2HD2 LEU 22 11.505 -13.613 -5.150 662 3HD2 LEU 22 3HD2 LEU 22 11.394 -15.373 -5.076 663 H GLU 23 H GLU 23 9.916 -16.511 -6.221 664 HA GLU 23 HA GLU 23 9.347 -14.063 -7.182 665 1HB GLU 23 2HB GLU 23 10.219 -15.848 -8.589 666 2HB GLU 23 1HB GLU 23 8.687 -16.704 -8.506 667 1HG GLU 23 1HG GLU 23 8.920 -15.604 -10.636 668 2HG GLU 23 2HG GLU 23 7.601 -14.881 -9.716 669 H THR 24 H THR 24 7.035 -16.445 -6.145 670 HA THR 24 HA THR 24 4.687 -15.574 -7.313 671 HB THR 24 HB THR 24 5.095 -16.617 -4.507 672 HG1 THR 24 1HG THR 24 3.910 -18.240 -6.369 673 1HG2 THR 24 1HG2 THR 24 2.619 -17.335 -4.944 674 2HG2 THR 24 2HG2 THR 24 2.629 -15.976 -6.068 675 3HG2 THR 24 3HG2 THR 24 2.974 -15.709 -4.360 676 H LEU 25 H LEU 25 6.319 -14.313 -4.415 677 HA LEU 25 HA LEU 25 4.320 -12.417 -3.823 678 1HB LEU 25 2HB LEU 25 6.224 -11.220 -2.586 679 2HB LEU 25 1HB LEU 25 5.695 -12.785 -2.018 680 HG LEU 25 HG LEU 25 7.669 -13.815 -3.145 681 1HD1 LEU 25 1HD2 LEU 25 7.920 -11.202 -4.274 682 2HD1 LEU 25 2HD2 LEU 25 8.855 -12.666 -4.614 683 3HD1 LEU 25 3HD2 LEU 25 9.358 -11.572 -3.322 684 1HD2 LEU 25 1HD1 LEU 25 7.563 -12.194 -0.795 685 2HD2 LEU 25 2HD1 LEU 25 9.174 -12.101 -1.505 686 3HD2 LEU 25 3HD1 LEU 25 8.481 -13.669 -1.093 687 H GLU 26 H GLU 26 7.296 -12.224 -5.753 688 HA GLU 26 HA GLU 26 7.124 -9.491 -6.301 689 1HB GLU 26 1HB GLU 26 9.124 -10.654 -6.899 690 2HB GLU 26 2HB GLU 26 8.244 -11.770 -7.941 691 1HG GLU 26 1HG GLU 26 7.751 -9.967 -9.491 692 2HG GLU 26 2HG GLU 26 8.557 -8.815 -8.429 693 H GLU 27 H GLU 27 5.263 -12.188 -7.319 694 HA GLU 27 HA GLU 27 4.054 -10.832 -9.581 695 1HB GLU 27 1HB GLU 27 3.088 -13.358 -8.241 696 2HB GLU 27 2HB GLU 27 2.747 -12.811 -9.877 697 1HG GLU 27 2HG GLU 27 5.150 -13.090 -10.412 698 2HG GLU 27 1HG GLU 27 5.380 -13.770 -8.801 699 H MET 28 H MET 28 2.927 -12.036 -6.424 700 HA MET 28 HA MET 28 0.487 -10.487 -6.645 701 1HB MET 28 1HB MET 28 1.435 -12.320 -4.441 702 2HB MET 28 2HB MET 28 -0.169 -11.616 -4.568 703 1HG MET 28 1HG MET 28 1.014 -13.481 -6.609 704 2HG MET 28 2HG MET 28 -0.008 -13.996 -5.271 705 1HE MET 28 1HE MET 28 0.508 -11.905 -8.229 706 2HE MET 28 2HE MET 28 -0.948 -10.911 -8.285 707 3HE MET 28 3HE MET 28 -0.851 -12.389 -9.243 708 H LEU 29 H LEU 29 3.297 -10.644 -4.505 709 HA LEU 29 HA LEU 29 2.526 -8.689 -2.655 710 1HB LEU 29 1HB LEU 29 4.424 -10.284 -2.410 711 2HB LEU 29 2HB LEU 29 5.327 -9.344 -3.577 712 HG LEU 29 HG LEU 29 5.425 -7.462 -2.055 713 1HD1 LEU 29 1HD2 LEU 29 3.134 -8.350 -0.974 714 2HD1 LEU 29 2HD2 LEU 29 4.230 -7.238 -0.157 715 3HD1 LEU 29 3HD2 LEU 29 4.288 -8.961 0.209 716 1HD2 LEU 29 1HD1 LEU 29 7.122 -9.228 -1.890 717 2HD2 LEU 29 2HD1 LEU 29 6.139 -10.046 -0.674 718 3HD2 LEU 29 3HD1 LEU 29 6.823 -8.456 -0.333 719 H GLU 30 H GLU 30 4.266 -8.362 -5.723 720 HA GLU 30 HA GLU 30 4.858 -5.617 -5.524 721 1HB GLU 30 1HB GLU 30 5.942 -6.994 -7.192 722 2HB GLU 30 2HB GLU 30 4.400 -7.352 -7.956 723 1HG GLU 30 2HG GLU 30 4.162 -5.007 -8.586 724 2HG GLU 30 1HG GLU 30 5.704 -4.643 -7.815 725 H LYS 31 H LYS 31 1.969 -7.327 -6.465 726 HA LYS 31 HA LYS 31 0.682 -4.913 -7.453 727 1HB LYS 31 1HB LYS 31 -0.666 -7.563 -6.999 728 2HB LYS 31 2HB LYS 31 -1.084 -6.300 -8.155 729 1HG LYS 31 1HG LYS 31 1.349 -8.058 -8.235 730 2HG LYS 31 2HG LYS 31 -0.071 -8.195 -9.275 731 1HD LYS 31 1HD LYS 31 0.400 -6.029 -10.253 732 2HD LYS 31 2HD LYS 31 1.752 -5.794 -9.142 733 1HE LYS 31 1HE LYS 31 2.539 -6.484 -11.344 734 2HE LYS 31 2HE LYS 31 2.906 -7.703 -10.124 735 1HZ LYS 31 1HZ LYS 31 2.048 -9.025 -11.735 736 2HZ LYS 31 2HZ LYS 31 1.040 -7.824 -12.368 737 3HZ LYS 31 3HZ LYS 31 0.598 -8.635 -10.952 738 H LEU 32 H LEU 32 0.863 -6.891 -4.656 739 HA LEU 32 HA LEU 32 -1.454 -5.978 -3.323 740 1HB LEU 32 2HB LEU 32 -0.252 -8.043 -2.761 741 2HB LEU 32 1HB LEU 32 1.101 -7.087 -2.187 742 HG LEU 32 HG LEU 32 -0.333 -6.126 -0.427 743 1HD1 LEU 32 1HD1 LEU 32 -2.518 -8.043 -0.912 744 2HD1 LEU 32 2HD1 LEU 32 -2.420 -6.682 -2.030 745 3HD1 LEU 32 3HD1 LEU 32 -2.566 -6.392 -0.296 746 1HD2 LEU 32 1HD2 LEU 32 -0.562 -8.094 0.933 747 2HD2 LEU 32 2HD2 LEU 32 0.908 -8.224 -0.032 748 3HD2 LEU 32 3HD2 LEU 32 -0.533 -9.129 -0.493 749 H GLU 33 H GLU 33 1.699 -4.674 -3.849 750 HA GLU 33 HA GLU 33 1.415 -2.721 -1.708 751 1HB GLU 33 1HB GLU 33 3.549 -1.809 -2.469 752 2HB GLU 33 2HB GLU 33 3.657 -3.541 -2.203 753 1HG GLU 33 1HG GLU 33 3.903 -4.010 -4.433 754 2HG GLU 33 2HG GLU 33 3.066 -2.544 -4.944 755 H VAL 34 H VAL 34 1.249 -2.857 -5.238 756 HA VAL 34 HA VAL 34 0.804 -0.068 -5.573 757 HB VAL 34 HB VAL 34 0.129 -0.555 -7.839 758 1HG1 VAL 34 1HG1 VAL 34 2.300 -2.541 -7.495 759 2HG1 VAL 34 2HG1 VAL 34 2.584 -0.910 -6.885 760 3HG1 VAL 34 3HG1 VAL 34 2.185 -1.159 -8.586 761 1HG2 VAL 34 1HG2 VAL 34 -1.045 -2.784 -6.932 762 2HG2 VAL 34 2HG2 VAL 34 0.440 -3.478 -7.581 763 3HG2 VAL 34 3HG2 VAL 34 -0.622 -2.536 -8.626 764 H VAL 35 H VAL 35 -1.284 -2.845 -5.029 765 HA VAL 35 HA VAL 35 -3.746 -1.627 -5.621 766 HB VAL 35 HB VAL 35 -3.632 -4.039 -5.268 767 1HG1 VAL 35 1HG1 VAL 35 -2.871 -3.292 -2.459 768 2HG1 VAL 35 2HG1 VAL 35 -1.989 -4.305 -3.599 769 3HG1 VAL 35 3HG1 VAL 35 -3.494 -4.886 -2.887 770 1HG2 VAL 35 1HG2 VAL 35 -5.535 -2.305 -4.001 771 2HG2 VAL 35 2HG2 VAL 35 -5.376 -3.809 -3.090 772 3HG2 VAL 35 3HG2 VAL 35 -5.794 -3.855 -4.804 773 H VAL 36 H VAL 36 -1.968 -1.927 -2.550 774 HA VAL 36 HA VAL 36 -3.802 -0.148 -1.224 775 HB VAL 36 HB VAL 36 -2.663 -1.905 0.062 776 1HG1 VAL 36 1HG1 VAL 36 -0.273 -0.585 -0.970 777 2HG1 VAL 36 2HG1 VAL 36 -0.515 -2.254 -0.461 778 3HG1 VAL 36 3HG1 VAL 36 -0.213 -1.002 0.744 779 1HG2 VAL 36 1HG2 VAL 36 -1.615 0.128 1.657 780 2HG2 VAL 36 2HG2 VAL 36 -3.223 -0.592 1.740 781 3HG2 VAL 36 3HG2 VAL 36 -2.953 0.844 0.753 782 H ASN 37 H ASN 37 -0.998 0.140 -3.148 783 HA ASN 37 HA ASN 37 0.147 2.501 -2.158 784 1HB ASN 37 2HB ASN 37 1.214 1.144 -3.896 785 2HB ASN 37 1HB ASN 37 -0.083 1.531 -5.018 786 1HD2 ASN 37 1HD2 ASN 37 0.545 2.890 -6.489 787 2HD2 ASN 37 2HD2 ASN 37 1.603 4.247 -6.255 788 H GLU 38 H GLU 38 -2.300 2.017 -4.666 789 HA GLU 38 HA GLU 38 -2.843 4.739 -5.140 790 1HB GLU 38 1HB GLU 38 -4.708 2.367 -5.395 791 2HB GLU 38 2HB GLU 38 -4.975 3.953 -6.105 792 1HG GLU 38 2HG GLU 38 -2.982 3.677 -7.484 793 2HG GLU 38 1HG GLU 38 -2.705 2.091 -6.767 794 H ARG 39 H ARG 39 -4.201 2.388 -2.909 795 HA ARG 39 HA ARG 39 -6.143 4.142 -1.754 796 1HB ARG 39 2HB ARG 39 -4.944 1.520 -0.876 797 2HB ARG 39 1HB ARG 39 -6.110 2.391 0.094 798 1HG ARG 39 1HG ARG 39 -7.056 0.531 -1.212 799 2HG ARG 39 2HG ARG 39 -7.813 2.094 -1.511 800 1HD ARG 39 1HD ARG 39 -5.591 1.133 -3.251 801 2HD ARG 39 2HD ARG 39 -7.229 0.532 -3.499 802 HE ARG 39 HE ARG 39 -6.235 2.998 -4.372 803 1HH1 ARG 39 1HH1 ARG 39 -9.018 1.711 -2.718 804 2HH1 ARG 39 2HH1 ARG 39 -10.093 2.940 -3.302 805 1HH2 ARG 39 1HH2 ARG 39 -7.644 4.620 -5.141 806 2HH2 ARG 39 2HH2 ARG 39 -9.313 4.590 -4.677 807 H ARG 40 H ARG 40 -2.817 3.393 -1.183 808 HA ARG 40 HA ARG 40 -2.591 4.336 1.463 809 1HB ARG 40 1HB ARG 40 -0.795 3.391 -0.644 810 2HB ARG 40 2HB ARG 40 -0.061 4.631 0.366 811 1HG ARG 40 2HG ARG 40 -1.166 1.957 1.205 812 2HG ARG 40 1HG ARG 40 0.511 2.512 1.287 813 1HD ARG 40 1HD ARG 40 -1.830 3.520 2.907 814 2HD ARG 40 2HD ARG 40 -0.453 2.587 3.492 815 HE ARG 40 HE ARG 40 0.529 4.923 2.329 816 1HH1 ARG 40 1HH1 ARG 40 -1.412 3.958 5.058 817 2HH1 ARG 40 2HH1 ARG 40 -0.940 5.309 6.034 818 1HH2 ARG 40 1HH2 ARG 40 1.155 6.705 3.608 819 2HH2 ARG 40 2HH2 ARG 40 0.518 6.870 5.211 820 H GLU 41 H GLU 41 -2.125 5.878 -1.671 821 HA GLU 41 HA GLU 41 -1.280 8.371 -0.513 822 1HB GLU 41 2HB GLU 41 -2.113 7.701 -3.338 823 2HB GLU 41 1HB GLU 41 -1.383 9.217 -2.829 824 1HG GLU 41 1HG GLU 41 0.636 8.020 -2.154 825 2HG GLU 41 2HG GLU 41 -0.096 6.500 -2.665 826 H GLU 42 H GLU 42 -4.311 6.992 -1.602 827 HA GLU 42 HA GLU 42 -5.675 9.548 -1.511 828 1HB GLU 42 1HB GLU 42 -6.713 6.762 -2.030 829 2HB GLU 42 2HB GLU 42 -7.678 8.228 -2.133 830 1HG GLU 42 2HG GLU 42 -6.238 9.055 -3.922 831 2HG GLU 42 1HG GLU 42 -5.270 7.585 -3.819 832 H GLU 43 H GLU 43 -5.563 6.586 0.403 833 HA GLU 43 HA GLU 43 -7.661 7.276 2.161 834 1HB GLU 43 1HB GLU 43 -5.516 5.246 2.133 835 2HB GLU 43 2HB GLU 43 -6.219 5.629 3.703 836 1HG GLU 43 2HG GLU 43 -7.747 4.771 1.259 837 2HG GLU 43 1HG GLU 43 -7.338 3.742 2.629 838 H SER 44 H SER 44 -4.140 7.600 2.435 839 HA SER 44 HA SER 44 -4.045 8.730 4.979 840 1HB SER 44 2HB SER 44 -2.315 9.227 2.543 841 2HB SER 44 1HB SER 44 -1.926 9.832 4.154 842 HG SER 44 HG SER 44 -1.792 7.703 4.873 843 H ALA 45 H ALA 45 -4.972 9.967 1.902 844 HA ALA 45 HA ALA 45 -5.058 12.742 2.596 845 1HB ALA 45 1HB ALA 45 -5.754 11.050 0.278 846 2HB ALA 45 2HB ALA 45 -4.914 12.605 0.341 847 3HB ALA 45 3HB ALA 45 -6.675 12.549 0.446 848 H ALA 46 H ALA 46 -7.444 10.129 2.282 849 HA ALA 46 HA ALA 46 -9.741 11.631 2.863 850 1HB ALA 46 1HB ALA 46 -9.829 9.399 1.860 851 2HB ALA 46 2HB ALA 46 -10.812 9.477 3.322 852 3HB ALA 46 3HB ALA 46 -9.232 8.695 3.363 853 H ALA 47 H ALA 47 -7.464 9.915 4.932 854 HA ALA 47 HA ALA 47 -8.919 10.254 7.347 855 1HB ALA 47 1HB ALA 47 -7.409 8.731 7.934 856 2HB ALA 47 2HB ALA 47 -6.220 10.030 8.023 857 3HB ALA 47 3HB ALA 47 -6.404 9.106 6.533 858 H ALA 48 H ALA 48 -6.318 12.067 5.783 859 HA ALA 48 HA ALA 48 -5.809 13.903 7.828 860 1HB ALA 48 1HB ALA 48 -5.533 15.128 5.240 861 2HB ALA 48 2HB ALA 48 -4.917 13.476 5.213 862 3HB ALA 48 3HB ALA 48 -4.288 14.634 6.385 863 H GLU 49 H GLU 49 -8.070 14.098 5.084 864 HA GLU 49 HA GLU 49 -9.036 16.682 5.795 865 1HB GLU 49 2HB GLU 49 -10.821 16.243 4.149 866 2HB GLU 49 1HB GLU 49 -9.221 15.904 3.507 867 1HG GLU 49 2HG GLU 49 -9.573 13.520 3.869 868 2HG GLU 49 1HG GLU 49 -11.175 13.856 4.524 869 H VAL 50 H VAL 50 -10.316 13.400 6.247 870 HA VAL 50 HA VAL 50 -12.567 14.349 7.781 871 HB VAL 50 HB VAL 50 -11.593 11.507 7.424 872 1HG1 VAL 50 1HG2 VAL 50 -13.094 11.203 9.085 873 2HG1 VAL 50 2HG2 VAL 50 -14.262 11.336 7.770 874 3HG1 VAL 50 3HG2 VAL 50 -13.904 12.739 8.778 875 1HG2 VAL 50 1HG1 VAL 50 -13.522 13.161 5.808 876 2HG2 VAL 50 2HG1 VAL 50 -13.446 11.400 5.725 877 3HG2 VAL 50 3HG1 VAL 50 -12.047 12.366 5.255 878 H GLU 51 H GLU 51 -10.790 15.484 9.165 879 HA GLU 51 HA GLU 51 -9.298 13.992 11.029 880 1HB GLU 51 2HB GLU 51 -9.100 16.138 12.255 881 2HB GLU 51 1HB GLU 51 -8.733 16.286 10.544 882 1HG GLU 51 2HG GLU 51 -10.951 17.215 10.138 883 2HG GLU 51 1HG GLU 51 -11.331 17.058 11.852 884 H GLU 52 H GLU 52 -10.573 15.920 13.215 885 HA GLU 52 HA GLU 52 -13.029 14.589 13.858 886 1HB GLU 52 1HB GLU 52 -12.247 13.569 15.956 887 2HB GLU 52 2HB GLU 52 -11.467 12.852 14.552 888 1HG GLU 52 1HG GLU 52 -9.476 14.206 14.966 889 2HG GLU 52 2HG GLU 52 -10.258 14.916 16.378 890 H ARG 53 H ARG 53 -10.454 16.791 14.628 891 HA ARG 53 HA ARG 53 -11.286 17.994 16.950 892 1HB ARG 53 1HB ARG 53 -9.215 18.583 15.765 893 2HB ARG 53 2HB ARG 53 -10.154 19.366 14.504 894 1HG ARG 53 2HG ARG 53 -9.243 21.024 15.988 895 2HG ARG 53 1HG ARG 53 -10.998 20.977 16.164 896 1HD ARG 53 2HD ARG 53 -10.771 19.622 18.179 897 2HD ARG 53 1HD ARG 53 -9.018 19.630 17.998 898 HE ARG 53 HE ARG 53 -9.019 21.632 19.066 899 1HH1 ARG 53 1HH1 ARG 53 -12.109 21.254 17.498 900 2HH1 ARG 53 2HH1 ARG 53 -12.730 22.764 18.077 901 1HH2 ARG 53 1HH2 ARG 53 -9.830 23.618 19.830 902 2HH2 ARG 53 2HH2 ARG 53 -11.435 24.108 19.401 903 H THR 54 H THR 54 -12.542 18.445 13.695 904 HA THR 54 HA THR 54 -14.838 19.875 14.841 905 HB THR 54 HB THR 54 -14.931 21.355 12.879 906 HG1 THR 54 1HG THR 54 -13.793 20.771 11.201 907 1HG2 THR 54 1HG2 THR 54 -13.502 22.895 13.751 908 2HG2 THR 54 2HG2 THR 54 -12.150 21.764 13.818 909 3HG2 THR 54 3HG2 THR 54 -13.411 21.709 15.052 910 H ARG 55 H ARG 55 -15.547 20.122 11.779 911 HA ARG 55 HA ARG 55 -16.098 17.393 11.081 912 1HB ARG 55 1HB ARG 55 -17.829 18.129 12.833 913 2HB ARG 55 2HB ARG 55 -18.477 19.166 11.567 914 1HG ARG 55 2HG ARG 55 -19.736 17.160 11.577 915 2HG ARG 55 1HG ARG 55 -18.709 17.146 10.140 916 1HD ARG 55 1HD ARG 55 -17.116 15.697 11.266 917 2HD ARG 55 2HD ARG 55 -18.084 15.748 12.738 918 HE ARG 55 HE ARG 55 -19.690 14.814 10.638 919 1HH1 ARG 55 1HH1 ARG 55 -16.954 13.814 12.551 920 2HH1 ARG 55 2HH1 ARG 55 -17.302 12.124 12.397 921 1HH2 ARG 55 1HH2 ARG 55 -20.153 12.592 10.431 922 2HH2 ARG 55 2HH2 ARG 55 -19.120 11.430 11.191 923 H LYS 56 H LYS 56 -16.061 17.246 8.950 924 HA LYS 56 HA LYS 56 -16.244 17.706 6.735 925 1HB LYS 56 1HB LYS 56 -18.511 18.520 7.275 926 2HB LYS 56 2HB LYS 56 -17.850 20.117 7.599 927 1HG LYS 56 2HG LYS 56 -17.122 20.294 5.277 928 2HG LYS 56 1HG LYS 56 -17.778 18.688 4.950 929 1HD LYS 56 1HD LYS 56 -20.017 19.503 5.578 930 2HD LYS 56 2HD LYS 56 -19.343 21.114 5.825 931 1HE LYS 56 1HE LYS 56 -19.369 19.573 3.233 932 2HE LYS 56 2HE LYS 56 -20.405 20.940 3.639 933 1HZ LYS 56 1HZ LYS 56 -17.933 21.923 4.076 934 2HZ LYS 56 2HZ LYS 56 -18.824 22.146 2.657 935 3HZ LYS 56 3HZ LYS 56 -17.669 20.913 2.744 936 H LEU 57 H LEU 57 -15.894 20.855 8.405 937 HA LEU 57 HA LEU 57 -14.169 21.940 6.449 938 1HB LEU 57 1HB LEU 57 -14.573 22.721 9.337 939 2HB LEU 57 2HB LEU 57 -13.690 23.674 8.159 940 HG LEU 57 HG LEU 57 -16.632 22.998 8.011 941 1HD1 LEU 57 1HD1 LEU 57 -16.268 24.560 9.781 942 2HD1 LEU 57 2HD1 LEU 57 -16.894 25.451 8.394 943 3HD1 LEU 57 3HD1 LEU 57 -15.176 25.519 8.783 944 1HD2 LEU 57 1HD2 LEU 57 -15.927 23.236 5.797 945 2HD2 LEU 57 2HD2 LEU 57 -14.784 24.515 6.201 946 3HD2 LEU 57 3HD2 LEU 57 -16.517 24.840 6.234 Start of MODEL 11 1 H SER 1 1HT SER 1 4.906 5.982 -1.070 2 HA SER 1 HA SER 1 6.853 4.943 -0.526 3 1HB SER 1 1HB SER 1 6.143 6.667 1.865 4 2HB SER 1 2HB SER 1 7.779 6.205 1.392 5 HG SER 1 HG SER 1 6.571 7.244 -0.730 6 H GLU 2 H GLU 2 4.571 4.662 2.162 7 HA GLU 2 HA GLU 2 6.090 2.704 3.562 8 1HB GLU 2 2HB GLU 2 4.204 2.510 5.037 9 2HB GLU 2 1HB GLU 2 4.464 4.207 4.670 10 1HG GLU 2 2HG GLU 2 2.380 2.456 3.392 11 2HG GLU 2 1HG GLU 2 2.093 3.586 4.710 12 H ALA 3 H ALA 3 3.679 2.580 1.050 13 HA ALA 3 HA ALA 3 3.084 -0.217 1.390 14 1HB ALA 3 1HB ALA 3 1.745 -0.026 -0.565 15 2HB ALA 3 2HB ALA 3 2.584 1.436 -1.079 16 3HB ALA 3 3HB ALA 3 1.530 1.477 0.333 17 H LEU 4 H LEU 4 5.475 1.652 -0.075 18 HA LEU 4 HA LEU 4 6.391 -0.359 -1.922 19 1HB LEU 4 1HB LEU 4 7.531 2.303 -1.067 20 2HB LEU 4 2HB LEU 4 8.165 1.317 -2.374 21 HG LEU 4 HG LEU 4 6.871 3.026 -3.390 22 1HD1 LEU 4 1HD1 LEU 4 4.662 1.281 -3.698 23 2HD1 LEU 4 2HD1 LEU 4 6.123 0.305 -3.542 24 3HD1 LEU 4 3HD1 LEU 4 6.020 1.545 -4.794 25 1HD2 LEU 4 1HD2 LEU 4 4.387 2.337 -1.884 26 2HD2 LEU 4 2HD2 LEU 4 4.848 3.848 -2.672 27 3HD2 LEU 4 3HD2 LEU 4 5.582 3.396 -1.134 28 H LYS 5 H LYS 5 7.396 1.143 1.077 29 HA LYS 5 HA LYS 5 9.703 -0.555 1.364 30 1HB LYS 5 2HB LYS 5 10.157 0.667 3.400 31 2HB LYS 5 1HB LYS 5 9.775 1.790 2.103 32 1HG LYS 5 2HG LYS 5 8.638 2.646 3.933 33 2HG LYS 5 1HG LYS 5 7.398 1.760 3.038 34 1HD LYS 5 1HD LYS 5 7.630 -0.134 4.543 35 2HD LYS 5 2HD LYS 5 8.914 0.700 5.420 36 1HE LYS 5 1HE LYS 5 7.327 2.471 6.034 37 2HE LYS 5 2HE LYS 5 6.046 1.600 5.191 38 1HZ LYS 5 1HZ LYS 5 7.146 1.152 7.800 39 2HZ LYS 5 2HZ LYS 5 7.081 -0.261 6.873 40 3HZ LYS 5 3HZ LYS 5 5.674 0.635 7.145 41 H ILE 6 H ILE 6 6.396 -0.681 2.293 42 HA ILE 6 HA ILE 6 6.475 -2.127 4.664 43 HB ILE 6 HB ILE 6 4.346 -1.318 3.728 44 1HG1 ILE 6 2HG1 ILE 6 4.309 -3.298 5.253 45 2HG1 ILE 6 1HG1 ILE 6 2.965 -3.219 4.128 46 1HG2 ILE 6 1HG2 ILE 6 5.018 -1.794 1.351 47 2HG2 ILE 6 2HG2 ILE 6 3.343 -2.136 1.781 48 3HG2 ILE 6 3HG2 ILE 6 4.502 -3.457 1.634 49 1HD1 ILE 6 1HD1 ILE 6 3.487 -5.441 4.072 50 2HD1 ILE 6 2HD1 ILE 6 5.221 -5.139 4.186 51 3HD1 ILE 6 3HD1 ILE 6 4.367 -4.815 2.677 52 H LEU 7 H LEU 7 6.175 -3.313 1.376 53 HA LEU 7 HA LEU 7 7.080 -5.941 2.129 54 1HB LEU 7 1HB LEU 7 6.046 -6.615 0.234 55 2HB LEU 7 2HB LEU 7 5.316 -5.017 0.264 56 HG LEU 7 HG LEU 7 7.449 -4.365 -1.143 57 1HD1 LEU 7 1HD1 LEU 7 7.406 -6.724 -2.655 58 2HD1 LEU 7 2HD1 LEU 7 7.649 -7.222 -0.980 59 3HD1 LEU 7 3HD1 LEU 7 8.752 -6.064 -1.722 60 1HD2 LEU 7 1HD2 LEU 7 4.858 -5.572 -1.925 61 2HD2 LEU 7 2HD2 LEU 7 6.056 -5.289 -3.188 62 3HD2 LEU 7 3HD2 LEU 7 5.482 -3.946 -2.199 63 H ASN 8 H ASN 8 8.279 -2.972 1.346 64 HA ASN 8 HA ASN 8 10.353 -2.153 0.862 65 1HB ASN 8 1HB ASN 8 10.956 -3.919 2.615 66 2HB ASN 8 2HB ASN 8 11.443 -4.940 1.263 67 1HD2 ASN 8 1HD2 ASN 8 12.548 -2.887 3.532 68 2HD2 ASN 8 2HD2 ASN 8 14.000 -2.331 2.756 69 H ASN 9 H ASN 9 8.713 -3.029 -1.262 70 HA ASN 9 HA ASN 9 8.732 -3.350 -3.499 71 1HB ASN 9 1HB ASN 9 11.676 -2.749 -3.161 72 2HB ASN 9 2HB ASN 9 10.840 -2.827 -4.708 73 1HD2 ASN 9 1HD2 ASN 9 8.634 -1.590 -2.611 74 2HD2 ASN 9 2HD2 ASN 9 8.934 0.092 -2.848 75 H ILE 10 H ILE 10 8.494 -5.188 -4.566 76 HA ILE 10 HA ILE 10 9.489 -7.643 -3.687 77 HB ILE 10 HB ILE 10 8.700 -8.598 -5.788 78 1HG1 ILE 10 2HG1 ILE 10 9.424 -6.680 -7.240 79 2HG1 ILE 10 1HG1 ILE 10 7.802 -7.271 -7.574 80 1HG2 ILE 10 1HG2 ILE 10 6.986 -6.704 -4.250 81 2HG2 ILE 10 2HG2 ILE 10 6.979 -8.470 -4.282 82 3HG2 ILE 10 3HG2 ILE 10 6.310 -7.560 -5.636 83 1HD1 ILE 10 1HD1 ILE 10 6.873 -5.396 -6.293 84 2HD1 ILE 10 2HD1 ILE 10 7.852 -4.866 -7.661 85 3HD1 ILE 10 3HD1 ILE 10 8.510 -4.793 -6.027 86 H ARG 11 H ARG 11 10.748 -5.383 -6.050 87 HA ARG 11 HA ARG 11 12.617 -7.003 -7.329 88 1HB ARG 11 2HB ARG 11 13.838 -4.855 -7.763 89 2HB ARG 11 1HB ARG 11 12.134 -4.827 -8.192 90 1HG ARG 11 2HG ARG 11 11.672 -3.706 -6.017 91 2HG ARG 11 1HG ARG 11 13.415 -3.607 -5.758 92 1HD ARG 11 2HD ARG 11 11.875 -2.379 -8.041 93 2HD ARG 11 1HD ARG 11 12.565 -1.519 -6.667 94 HE ARG 11 HE ARG 11 14.617 -2.930 -7.932 95 1HH1 ARG 11 1HH1 ARG 11 12.460 -0.266 -8.554 96 2HH1 ARG 11 2HH1 ARG 11 13.558 0.542 -9.622 97 1HH2 ARG 11 1HH2 ARG 11 16.069 -1.874 -9.338 98 2HH2 ARG 11 2HH2 ARG 11 15.610 -0.373 -10.068 99 H THR 12 H THR 12 13.105 -4.903 -4.486 100 HA THR 12 HA THR 12 15.770 -5.834 -4.038 101 HB THR 12 HB THR 12 13.916 -4.313 -2.193 102 HG1 THR 12 1HG THR 12 14.542 -2.603 -3.276 103 1HG2 THR 12 1HG2 THR 12 16.879 -4.862 -2.038 104 2HG2 THR 12 2HG2 THR 12 15.638 -5.351 -0.884 105 3HG2 THR 12 3HG2 THR 12 16.048 -3.646 -1.068 106 H LEU 13 H LEU 13 12.599 -6.591 -2.714 107 HA LEU 13 HA LEU 13 13.377 -8.147 -0.542 108 1HB LEU 13 1HB LEU 13 11.065 -7.338 -1.033 109 2HB LEU 13 2HB LEU 13 10.941 -8.574 -2.268 110 HG LEU 13 HG LEU 13 11.393 -9.151 0.663 111 1HD1 LEU 13 1HD1 LEU 13 9.075 -9.722 0.806 112 2HD1 LEU 13 2HD1 LEU 13 8.843 -9.415 -0.916 113 3HD1 LEU 13 3HD1 LEU 13 9.200 -8.078 0.178 114 1HD2 LEU 13 1HD2 LEU 13 10.728 -10.928 -1.680 115 2HD2 LEU 13 2HD2 LEU 13 10.706 -11.439 0.008 116 3HD2 LEU 13 3HD2 LEU 13 12.223 -10.927 -0.738 117 H ARG 14 H ARG 14 12.433 -9.286 -3.802 118 HA ARG 14 HA ARG 14 12.826 -11.961 -3.530 119 1HB ARG 14 1HB ARG 14 13.594 -10.232 -5.883 120 2HB ARG 14 2HB ARG 14 13.554 -11.989 -5.933 121 1HG ARG 14 1HG ARG 14 11.151 -11.907 -5.350 122 2HG ARG 14 2HG ARG 14 11.225 -10.145 -5.453 123 1HD ARG 14 2HD ARG 14 10.377 -11.084 -7.527 124 2HD ARG 14 1HD ARG 14 11.944 -10.318 -7.788 125 HE ARG 14 HE ARG 14 12.353 -13.037 -7.256 126 1HH1 ARG 14 1HH1 ARG 14 11.000 -10.980 -9.720 127 2HH1 ARG 14 2HH1 ARG 14 11.332 -12.090 -11.009 128 1HH2 ARG 14 1HH2 ARG 14 12.791 -14.503 -8.943 129 2HH2 ARG 14 2HH2 ARG 14 12.350 -14.093 -10.567 130 H ALA 15 H ALA 15 15.256 -9.482 -3.724 131 HA ALA 15 HA ALA 15 17.475 -11.280 -4.028 132 1HB ALA 15 1HB ALA 15 17.519 -8.423 -3.103 133 2HB ALA 15 2HB ALA 15 17.474 -8.911 -4.796 134 3HB ALA 15 3HB ALA 15 18.853 -9.348 -3.789 135 H GLN 16 H GLN 16 16.102 -9.376 -1.362 136 HA GLN 16 HA GLN 16 17.985 -10.168 0.598 137 1HB GLN 16 1HB GLN 16 15.096 -9.542 1.196 138 2HB GLN 16 2HB GLN 16 16.503 -9.244 2.206 139 1HG GLN 16 1HG GLN 16 17.236 -7.476 0.761 140 2HG GLN 16 2HG GLN 16 15.945 -7.832 -0.386 141 1HE2 GLN 16 2HE2 GLN 16 14.047 -6.855 -0.150 142 2HE2 GLN 16 1HE2 GLN 16 13.583 -5.881 1.212 143 H ALA 17 H ALA 17 15.000 -11.470 -0.545 144 HA ALA 17 HA ALA 17 14.930 -13.639 1.357 145 1HB ALA 17 1HB ALA 17 12.995 -14.169 -0.507 146 2HB ALA 17 2HB ALA 17 13.077 -12.401 -0.511 147 3HB ALA 17 3HB ALA 17 12.765 -13.272 0.996 148 H ARG 18 H ARG 18 16.181 -12.978 -1.755 149 HA ARG 18 HA ARG 18 16.054 -15.283 -3.181 150 1HB ARG 18 1HB ARG 18 17.296 -13.268 -3.863 151 2HB ARG 18 2HB ARG 18 18.551 -13.650 -2.694 152 1HG ARG 18 2HG ARG 18 19.099 -15.674 -3.907 153 2HG ARG 18 1HG ARG 18 17.798 -15.351 -5.058 154 1HD ARG 18 1HD ARG 18 18.885 -13.257 -5.688 155 2HD ARG 18 2HD ARG 18 20.185 -13.589 -4.548 156 HE ARG 18 HE ARG 18 19.982 -15.757 -6.305 157 1HH1 ARG 18 1HH1 ARG 18 20.877 -12.391 -6.343 158 2HH1 ARG 18 2HH1 ARG 18 21.988 -12.568 -7.660 159 1HH2 ARG 18 1HH2 ARG 18 21.442 -16.000 -8.038 160 2HH2 ARG 18 2HH2 ARG 18 22.309 -14.621 -8.624 161 H GLU 19 H GLU 19 17.795 -14.720 -0.226 162 HA GLU 19 HA GLU 19 18.882 -17.457 -0.302 163 1HB GLU 19 1HB GLU 19 20.329 -16.723 1.571 164 2HB GLU 19 2HB GLU 19 20.563 -15.765 0.115 165 1HG GLU 19 2HG GLU 19 19.164 -13.995 1.058 166 2HG GLU 19 1HG GLU 19 18.943 -14.955 2.520 167 H SER 20 H SER 20 16.156 -17.220 0.103 168 HA SER 20 HA SER 20 15.795 -18.657 2.507 169 1HB SER 20 1HB SER 20 16.035 -16.444 3.544 170 2HB SER 20 2HB SER 20 14.746 -15.816 2.519 171 HG SER 20 HG SER 20 14.514 -17.009 4.860 172 H THR 21 H THR 21 13.366 -18.876 3.003 173 HA THR 21 HA THR 21 12.056 -19.690 0.590 174 HB THR 21 HB THR 21 10.992 -19.646 3.424 175 HG1 THR 21 1HG THR 21 12.931 -21.096 2.394 176 1HG2 THR 21 1HG2 THR 21 9.913 -20.629 0.848 177 2HG2 THR 21 2HG2 THR 21 9.067 -20.062 2.289 178 3HG2 THR 21 3HG2 THR 21 9.726 -21.697 2.239 179 H LEU 22 H LEU 22 9.786 -19.069 0.075 180 HA LEU 22 HA LEU 22 9.525 -16.327 -0.298 181 1HB LEU 22 2HB LEU 22 7.730 -16.836 -1.542 182 2HB LEU 22 1HB LEU 22 8.252 -18.493 -1.309 183 HG LEU 22 HG LEU 22 6.259 -17.149 0.500 184 1HD1 LEU 22 1HD1 LEU 22 4.502 -18.210 -0.782 185 2HD1 LEU 22 2HD1 LEU 22 5.692 -18.865 -1.907 186 3HD1 LEU 22 3HD1 LEU 22 5.436 -17.120 -1.811 187 1HD2 LEU 22 1HD2 LEU 22 7.625 -19.392 0.964 188 2HD2 LEU 22 2HD2 LEU 22 6.289 -20.060 0.025 189 3HD2 LEU 22 3HD2 LEU 22 5.962 -19.147 1.499 190 H GLU 23 H GLU 23 9.022 -18.163 2.492 191 HA GLU 23 HA GLU 23 6.895 -17.194 3.825 192 1HB GLU 23 2HB GLU 23 8.562 -18.719 4.810 193 2HB GLU 23 1HB GLU 23 9.686 -17.379 4.977 194 1HG GLU 23 2HG GLU 23 8.147 -16.276 6.520 195 2HG GLU 23 1HG GLU 23 7.022 -17.624 6.355 196 H THR 24 H THR 24 9.652 -15.361 2.795 197 HA THR 24 HA THR 24 9.557 -13.126 4.426 198 HB THR 24 HB THR 24 10.067 -13.203 1.445 199 HG1 THR 24 1HG THR 24 12.264 -12.818 2.892 200 1HG2 THR 24 1HG2 THR 24 11.414 -11.095 2.039 201 2HG2 THR 24 2HG2 THR 24 10.434 -11.048 3.506 202 3HG2 THR 24 3HG2 THR 24 9.659 -10.945 1.924 203 H LEU 25 H LEU 25 7.603 -13.900 1.559 204 HA LEU 25 HA LEU 25 6.129 -11.493 1.616 205 1HB LEU 25 1HB LEU 25 4.423 -12.846 0.262 206 2HB LEU 25 2HB LEU 25 5.992 -12.532 -0.438 207 HG LEU 25 HG LEU 25 6.675 -14.859 0.203 208 1HD1 LEU 25 1HD2 LEU 25 5.409 -16.080 1.544 209 2HD1 LEU 25 2HD2 LEU 25 4.106 -16.028 0.353 210 3HD1 LEU 25 3HD2 LEU 25 4.201 -14.792 1.606 211 1HD2 LEU 25 1HD1 LEU 25 6.215 -15.057 -1.960 212 2HD2 LEU 25 2HD1 LEU 25 4.803 -14.008 -1.837 213 3HD2 LEU 25 3HD1 LEU 25 4.660 -15.725 -1.466 214 H GLU 26 H GLU 26 5.571 -14.708 3.000 215 HA GLU 26 HA GLU 26 3.019 -14.244 4.012 216 1HB GLU 26 1HB GLU 26 3.922 -16.454 4.099 217 2HB GLU 26 2HB GLU 26 5.304 -15.929 5.055 218 1HG GLU 26 1HG GLU 26 2.477 -15.817 6.065 219 2HG GLU 26 2HG GLU 26 3.518 -17.223 6.268 220 H GLU 27 H GLU 27 6.130 -13.075 4.926 221 HA GLU 27 HA GLU 27 5.264 -12.018 7.479 222 1HB GLU 27 2HB GLU 27 7.541 -12.758 7.329 223 2HB GLU 27 1HB GLU 27 7.831 -11.760 5.911 224 1HG GLU 27 2HG GLU 27 8.852 -10.782 7.870 225 2HG GLU 27 1HG GLU 27 7.555 -9.750 7.266 226 H MET 28 H MET 28 6.388 -10.620 4.395 227 HA MET 28 HA MET 28 5.460 -7.993 5.183 228 1HB MET 28 2HB MET 28 6.748 -8.896 2.606 229 2HB MET 28 1HB MET 28 6.473 -7.231 3.092 230 1HG MET 28 1HG MET 28 8.269 -9.197 4.490 231 2HG MET 28 2HG MET 28 8.789 -7.899 3.416 232 1HE MET 28 1HE MET 28 10.182 -6.296 6.382 233 2HE MET 28 2HE MET 28 10.393 -7.590 5.200 234 3HE MET 28 3HE MET 28 9.869 -7.970 6.840 235 H LEU 29 H LEU 29 4.758 -10.358 2.652 236 HA LEU 29 HA LEU 29 2.802 -8.891 1.285 237 1HB LEU 29 2HB LEU 29 3.819 -10.798 0.271 238 2HB LEU 29 1HB LEU 29 3.267 -11.865 1.537 239 HG LEU 29 HG LEU 29 0.924 -11.517 0.736 240 1HD1 LEU 29 1HD2 LEU 29 1.850 -9.299 -0.478 241 2HD1 LEU 29 2HD2 LEU 29 0.376 -10.139 -0.958 242 3HD1 LEU 29 3HD2 LEU 29 1.882 -10.434 -1.828 243 1HD2 LEU 29 1HD1 LEU 29 3.062 -12.620 -1.056 244 2HD2 LEU 29 2HD1 LEU 29 1.362 -12.690 -1.524 245 3HD2 LEU 29 3HD1 LEU 29 1.905 -13.486 -0.044 246 H GLU 30 H GLU 30 2.649 -10.616 4.272 247 HA GLU 30 HA GLU 30 -0.219 -10.819 4.362 248 1HB GLU 30 2HB GLU 30 1.109 -12.391 5.635 249 2HB GLU 30 1HB GLU 30 1.878 -11.083 6.520 250 1HG GLU 30 2HG GLU 30 0.215 -12.149 7.898 251 2HG GLU 30 1HG GLU 30 -0.280 -10.500 7.520 252 H LYS 31 H LYS 31 2.190 -8.500 5.351 253 HA LYS 31 HA LYS 31 0.295 -6.948 6.915 254 1HB LYS 31 1HB LYS 31 3.040 -6.026 6.109 255 2HB LYS 31 2HB LYS 31 2.121 -5.622 7.557 256 1HG LYS 31 2HG LYS 31 3.323 -8.300 6.917 257 2HG LYS 31 1HG LYS 31 3.970 -7.123 8.062 258 1HD LYS 31 2HD LYS 31 2.157 -7.418 9.540 259 2HD LYS 31 1HD LYS 31 1.194 -8.250 8.317 260 1HE LYS 31 1HE LYS 31 2.712 -10.144 8.371 261 2HE LYS 31 2HE LYS 31 3.743 -9.306 9.534 262 1HZ LYS 31 1HZ LYS 31 2.536 -10.377 11.053 263 2HZ LYS 31 2HZ LYS 31 1.300 -10.757 9.964 264 3HZ LYS 31 3HZ LYS 31 1.319 -9.247 10.727 265 H LEU 32 H LEU 32 1.778 -7.003 3.804 266 HA LEU 32 HA LEU 32 1.039 -4.390 2.974 267 1HB LEU 32 2HB LEU 32 2.836 -5.636 1.915 268 2HB LEU 32 1HB LEU 32 1.696 -6.858 1.382 269 HG LEU 32 HG LEU 32 0.616 -5.246 -0.086 270 1HD1 LEU 32 1HD2 LEU 32 0.899 -3.013 -0.027 271 2HD1 LEU 32 2HD2 LEU 32 2.615 -3.133 0.362 272 3HD1 LEU 32 3HD2 LEU 32 1.408 -3.340 1.630 273 1HD2 LEU 32 1HD1 LEU 32 3.611 -5.226 -0.343 274 2HD2 LEU 32 2HD1 LEU 32 2.480 -4.769 -1.615 275 3HD2 LEU 32 3HD1 LEU 32 2.498 -6.422 -1.005 276 H GLU 33 H GLU 33 -0.598 -7.423 3.231 277 HA GLU 33 HA GLU 33 -2.741 -6.613 1.438 278 1HB GLU 33 1HB GLU 33 -3.739 -8.759 1.878 279 2HB GLU 33 2HB GLU 33 -2.026 -8.988 1.567 280 1HG GLU 33 1HG GLU 33 -2.138 -10.312 3.379 281 2HG GLU 33 2HG GLU 33 -1.994 -8.788 4.252 282 H VAL 34 H VAL 34 -2.126 -6.923 4.895 283 HA VAL 34 HA VAL 34 -4.792 -6.281 5.674 284 HB VAL 34 HB VAL 34 -3.959 -6.000 7.918 285 1HG1 VAL 34 1HG1 VAL 34 -4.282 -8.238 7.588 286 2HG1 VAL 34 2HG1 VAL 34 -2.573 -8.230 8.021 287 3HG1 VAL 34 3HG1 VAL 34 -3.054 -8.344 6.328 288 1HG2 VAL 34 1HG2 VAL 34 -1.169 -6.651 7.422 289 2HG2 VAL 34 2HG2 VAL 34 -1.875 -5.410 8.456 290 3HG2 VAL 34 3HG2 VAL 34 -1.638 -5.095 6.737 291 H VAL 35 H VAL 35 -1.855 -4.441 5.061 292 HA VAL 35 HA VAL 35 -2.634 -1.981 6.131 293 HB VAL 35 HB VAL 35 -0.350 -2.314 5.322 294 1HG1 VAL 35 1HG1 VAL 35 -0.629 -3.693 3.420 295 2HG1 VAL 35 2HG1 VAL 35 0.071 -2.181 2.842 296 3HG1 VAL 35 3HG1 VAL 35 -1.648 -2.501 2.617 297 1HG2 VAL 35 1HG2 VAL 35 -1.985 -0.049 4.711 298 2HG2 VAL 35 2HG2 VAL 35 -0.730 -0.225 3.483 299 3HG2 VAL 35 3HG2 VAL 35 -0.287 -0.103 5.186 300 H VAL 36 H VAL 36 -3.129 -3.337 2.873 301 HA VAL 36 HA VAL 36 -4.830 -1.120 2.157 302 HB VAL 36 HB VAL 36 -3.474 -2.323 0.444 303 1HG1 VAL 36 1HG1 VAL 36 -4.849 -4.386 -0.482 304 2HG1 VAL 36 2HG1 VAL 36 -5.252 -4.550 1.229 305 3HG1 VAL 36 3HG1 VAL 36 -3.565 -4.574 0.713 306 1HG2 VAL 36 1HG2 VAL 36 -5.641 -2.557 -1.099 307 2HG2 VAL 36 2HG2 VAL 36 -4.933 -1.010 -0.622 308 3HG2 VAL 36 3HG2 VAL 36 -6.321 -1.654 0.259 309 H ASN 37 H ASN 37 -5.172 -4.295 3.513 310 HA ASN 37 HA ASN 37 -7.765 -5.004 2.995 311 1HB ASN 37 2HB ASN 37 -6.125 -6.165 4.527 312 2HB ASN 37 1HB ASN 37 -6.548 -4.991 5.767 313 1HD2 ASN 37 2HD2 ASN 37 -6.963 -8.018 5.049 314 2HD2 ASN 37 1HD2 ASN 37 -8.588 -8.290 5.588 315 H GLU 38 H GLU 38 -6.558 -2.618 5.258 316 HA GLU 38 HA GLU 38 -9.080 -1.780 6.274 317 1HB GLU 38 1HB GLU 38 -6.455 -0.277 6.145 318 2HB GLU 38 2HB GLU 38 -7.846 0.188 7.114 319 1HG GLU 38 1HG GLU 38 -7.638 -1.876 8.403 320 2HG GLU 38 2HG GLU 38 -6.245 -2.343 7.430 321 H ARG 39 H ARG 39 -6.986 -0.730 3.655 322 HA ARG 39 HA ARG 39 -8.567 1.506 2.850 323 1HB ARG 39 1HB ARG 39 -6.409 -0.113 1.518 324 2HB ARG 39 2HB ARG 39 -7.252 1.171 0.670 325 1HG ARG 39 2HG ARG 39 -5.219 2.050 1.511 326 2HG ARG 39 1HG ARG 39 -6.537 2.740 2.459 327 1HD ARG 39 2HD ARG 39 -6.090 0.870 4.122 328 2HD ARG 39 1HD ARG 39 -4.589 0.599 3.234 329 HE ARG 39 HE ARG 39 -3.714 2.388 4.325 330 1HH1 ARG 39 1HH1 ARG 39 -7.181 2.719 4.293 331 2HH1 ARG 39 2HH1 ARG 39 -7.181 4.186 5.213 332 1HH2 ARG 39 1HH2 ARG 39 -3.703 4.321 5.541 333 2HH2 ARG 39 2HH2 ARG 39 -5.204 5.094 5.924 334 H ARG 40 H ARG 40 -8.080 -1.692 1.431 335 HA ARG 40 HA ARG 40 -9.847 -1.668 -0.625 336 1HB ARG 40 1HB ARG 40 -8.828 -3.790 1.195 337 2HB ARG 40 2HB ARG 40 -10.164 -4.211 0.130 338 1HG ARG 40 1HG ARG 40 -7.444 -3.202 -0.665 339 2HG ARG 40 2HG ARG 40 -8.086 -4.835 -0.885 340 1HD ARG 40 2HD ARG 40 -9.781 -3.978 -2.407 341 2HD ARG 40 1HD ARG 40 -9.206 -2.331 -2.153 342 HE ARG 40 HE ARG 40 -7.081 -3.928 -3.072 343 1HH1 ARG 40 1HH1 ARG 40 -10.066 -2.507 -4.174 344 2HH1 ARG 40 2HH1 ARG 40 -9.555 -2.394 -5.825 345 1HH2 ARG 40 1HH2 ARG 40 -6.400 -3.785 -5.246 346 2HH2 ARG 40 2HH2 ARG 40 -7.471 -3.120 -6.434 347 H GLU 41 H GLU 41 -10.600 -2.056 2.798 348 HA GLU 41 HA GLU 41 -13.387 -2.592 2.257 349 1HB GLU 41 2HB GLU 41 -12.447 -3.775 4.081 350 2HB GLU 41 1HB GLU 41 -11.780 -2.308 4.784 351 1HG GLU 41 1HG GLU 41 -14.028 -1.508 5.244 352 2HG GLU 41 2HG GLU 41 -14.701 -2.983 4.553 353 H GLU 42 H GLU 42 -11.620 0.019 3.981 354 HA GLU 42 HA GLU 42 -14.033 1.615 4.084 355 1HB GLU 42 1HB GLU 42 -11.268 1.940 5.190 356 2HB GLU 42 2HB GLU 42 -12.372 3.307 5.148 357 1HG GLU 42 2HG GLU 42 -12.544 2.344 7.295 358 2HG GLU 42 1HG GLU 42 -14.010 1.908 6.422 359 H GLU 43 H GLU 43 -10.920 1.759 2.448 360 HA GLU 43 HA GLU 43 -11.191 4.300 1.315 361 1HB GLU 43 1HB GLU 43 -9.061 3.272 1.272 362 2HB GLU 43 2HB GLU 43 -9.678 1.877 0.402 363 1HG GLU 43 1HG GLU 43 -8.363 3.354 -1.007 364 2HG GLU 43 2HG GLU 43 -10.023 3.201 -1.575 365 H SER 44 H SER 44 -12.097 1.109 0.008 366 HA SER 44 HA SER 44 -13.068 1.981 -2.461 367 1HB SER 44 2HB SER 44 -14.103 -0.274 -0.715 368 2HB SER 44 1HB SER 44 -14.496 -0.054 -2.419 369 HG SER 44 HG SER 44 -11.923 -0.525 -1.319 370 H ALA 45 H ALA 45 -14.389 2.017 0.740 371 HA ALA 45 HA ALA 45 -17.045 2.783 0.109 372 1HB ALA 45 1HB ALA 45 -17.040 2.049 2.247 373 2HB ALA 45 2HB ALA 45 -16.664 3.732 2.621 374 3HB ALA 45 3HB ALA 45 -15.364 2.539 2.517 375 H ALA 46 H ALA 46 -14.082 4.542 0.908 376 HA ALA 46 HA ALA 46 -15.196 7.134 1.017 377 1HB ALA 46 1HB ALA 46 -13.000 7.930 1.090 378 2HB ALA 46 2HB ALA 46 -12.382 6.594 0.118 379 3HB ALA 46 3HB ALA 46 -12.874 6.315 1.788 380 H ALA 47 H ALA 47 -13.844 5.218 -1.619 381 HA ALA 47 HA ALA 47 -13.826 7.223 -3.591 382 1HB ALA 47 1HB ALA 47 -12.621 5.128 -3.865 383 2HB ALA 47 2HB ALA 47 -13.743 5.376 -5.204 384 3HB ALA 47 3HB ALA 47 -14.145 4.241 -3.914 385 H ALA 48 H ALA 48 -16.281 4.835 -2.689 386 HA ALA 48 HA ALA 48 -18.162 5.685 -4.668 387 1HB ALA 48 1HB ALA 48 -19.000 3.699 -4.124 388 2HB ALA 48 2HB ALA 48 -19.561 4.400 -2.605 389 3HB ALA 48 3HB ALA 48 -17.983 3.615 -2.686 390 H GLU 49 H GLU 49 -17.499 6.492 -1.340 391 HA GLU 49 HA GLU 49 -19.868 7.865 -0.723 392 1HB GLU 49 1HB GLU 49 -18.322 7.160 1.003 393 2HB GLU 49 2HB GLU 49 -17.065 8.201 0.351 394 1HG GLU 49 2HG GLU 49 -18.353 10.165 0.933 395 2HG GLU 49 1HG GLU 49 -19.665 9.150 1.528 396 H VAL 50 H VAL 50 -16.760 9.064 -1.988 397 HA VAL 50 HA VAL 50 -17.514 11.781 -2.034 398 HB VAL 50 HB VAL 50 -15.174 11.140 -2.147 399 1HG1 VAL 50 1HG1 VAL 50 -15.273 9.122 -3.429 400 2HG1 VAL 50 2HG1 VAL 50 -14.236 10.265 -4.284 401 3HG1 VAL 50 3HG1 VAL 50 -15.887 9.988 -4.837 402 1HG2 VAL 50 1HG2 VAL 50 -15.294 12.401 -4.764 403 2HG2 VAL 50 2HG2 VAL 50 -14.655 13.014 -3.239 404 3HG2 VAL 50 3HG2 VAL 50 -16.377 13.150 -3.592 405 H GLU 51 H GLU 51 -17.591 9.294 -4.578 406 HA GLU 51 HA GLU 51 -18.678 11.063 -6.541 407 1HB GLU 51 1HB GLU 51 -18.992 9.039 -7.893 408 2HB GLU 51 2HB GLU 51 -17.377 9.107 -7.202 409 1HG GLU 51 2HG GLU 51 -18.054 7.530 -5.464 410 2HG GLU 51 1HG GLU 51 -19.673 7.462 -6.159 411 H GLU 52 H GLU 52 -20.755 11.471 -7.075 412 HA GLU 52 HA GLU 52 -22.961 9.833 -6.446 413 1HB GLU 52 2HB GLU 52 -22.207 10.819 -4.157 414 2HB GLU 52 1HB GLU 52 -22.916 12.313 -4.746 415 1HG GLU 52 2HG GLU 52 -24.378 9.700 -4.440 416 2HG GLU 52 1HG GLU 52 -24.433 11.042 -3.302 417 H ARG 53 H ARG 53 -22.330 13.346 -6.398 418 HA ARG 53 HA ARG 53 -23.212 13.865 -9.001 419 1HB ARG 53 2HB ARG 53 -25.404 13.122 -8.058 420 2HB ARG 53 1HB ARG 53 -25.322 14.452 -6.912 421 1HG ARG 53 2HG ARG 53 -25.335 16.048 -8.764 422 2HG ARG 53 1HG ARG 53 -25.421 14.711 -9.911 423 1HD ARG 53 2HD ARG 53 -27.482 15.316 -7.794 424 2HD ARG 53 1HD ARG 53 -27.614 15.766 -9.491 425 HE ARG 53 HE ARG 53 -28.124 13.584 -10.016 426 1HH1 ARG 53 1HH1 ARG 53 -27.144 13.795 -6.677 427 2HH1 ARG 53 2HH1 ARG 53 -27.586 12.159 -6.314 428 1HH2 ARG 53 1HH2 ARG 53 -28.710 11.437 -9.542 429 2HH2 ARG 53 2HH2 ARG 53 -28.474 10.820 -7.941 430 H THR 54 H THR 54 -21.079 14.758 -7.771 431 HA THR 54 HA THR 54 -19.843 16.579 -7.242 432 HB THR 54 HB THR 54 -20.535 18.764 -8.020 433 HG1 THR 54 1HG THR 54 -22.648 19.096 -8.803 434 1HG2 THR 54 1HG2 THR 54 -21.216 16.472 -9.845 435 2HG2 THR 54 2HG2 THR 54 -19.722 17.407 -9.771 436 3HG2 THR 54 3HG2 THR 54 -21.195 18.148 -10.397 437 H ARG 55 H ARG 55 -19.350 17.565 -5.410 438 HA ARG 55 HA ARG 55 -21.137 17.466 -3.204 439 1HB ARG 55 2HB ARG 55 -18.472 18.871 -3.465 440 2HB ARG 55 1HB ARG 55 -19.299 18.504 -1.956 441 1HG ARG 55 1HG ARG 55 -19.026 16.153 -2.302 442 2HG ARG 55 2HG ARG 55 -18.384 16.420 -3.924 443 1HD ARG 55 2HD ARG 55 -16.595 15.941 -2.343 444 2HD ARG 55 1HD ARG 55 -16.459 17.577 -2.985 445 HE ARG 55 HE ARG 55 -17.903 17.698 -0.598 446 1HH1 ARG 55 1HH1 ARG 55 -14.686 16.939 -1.701 447 2HH1 ARG 55 2HH1 ARG 55 -13.924 17.443 -0.229 448 1HH2 ARG 55 1HH2 ARG 55 -16.908 18.364 1.343 449 2HH2 ARG 55 2HH2 ARG 55 -15.186 18.252 1.501 450 H LYS 56 H LYS 56 -19.955 20.125 -2.194 451 HA LYS 56 HA LYS 56 -22.250 21.701 -2.653 452 1HB LYS 56 2HB LYS 56 -19.536 22.496 -1.583 453 2HB LYS 56 1HB LYS 56 -20.981 23.495 -1.506 454 1HG LYS 56 2HG LYS 56 -22.075 21.817 -0.113 455 2HG LYS 56 1HG LYS 56 -20.630 20.809 -0.194 456 1HD LYS 56 2HD LYS 56 -19.334 22.543 0.918 457 2HD LYS 56 1HD LYS 56 -20.753 23.593 0.961 458 1HE LYS 56 2HE LYS 56 -20.491 20.917 2.328 459 2HE LYS 56 1HE LYS 56 -20.380 22.491 3.114 460 1HZ LYS 56 1HZ LYS 56 -22.660 22.939 2.485 461 2HZ LYS 56 2HZ LYS 56 -22.574 21.505 3.375 462 3HZ LYS 56 3HZ LYS 56 -22.771 21.446 1.697 463 H LEU 57 H LEU 57 -22.695 23.266 -4.100 464 HA LEU 57 HA LEU 57 -22.597 24.437 -6.043 465 1HB LEU 57 2HB LEU 57 -19.855 24.904 -4.912 466 2HB LEU 57 1HB LEU 57 -20.416 25.709 -6.362 467 HG LEU 57 HG LEU 57 -20.642 27.172 -4.439 468 1HD1 LEU 57 1HD2 LEU 57 -23.254 26.147 -5.526 469 2HD1 LEU 57 2HD2 LEU 57 -22.287 27.491 -6.132 470 3HD1 LEU 57 3HD2 LEU 57 -23.095 27.621 -4.570 471 1HD2 LEU 57 1HD1 LEU 57 -22.187 26.627 -2.609 472 2HD2 LEU 57 2HD1 LEU 57 -20.813 25.524 -2.676 473 3HD2 LEU 57 3HD1 LEU 57 -22.389 25.009 -3.279 474 H SER 1 1HT SER 1 -13.955 -9.313 0.229 475 HA SER 1 HA SER 1 -11.392 -9.582 0.981 476 1HB SER 1 2HB SER 1 -13.033 -11.375 -0.830 477 2HB SER 1 1HB SER 1 -11.651 -11.894 0.134 478 HG SER 1 HG SER 1 -13.491 -10.566 1.627 479 H GLU 2 H GLU 2 -11.097 -7.593 -0.934 480 HA GLU 2 HA GLU 2 -9.954 -8.738 -3.327 481 1HB GLU 2 1HB GLU 2 -11.171 -6.597 -3.403 482 2HB GLU 2 2HB GLU 2 -9.964 -5.880 -2.343 483 1HG GLU 2 1HG GLU 2 -9.531 -5.220 -4.606 484 2HG GLU 2 2HG GLU 2 -8.247 -6.296 -4.058 485 H ALA 3 H ALA 3 -8.827 -7.336 -0.314 486 HA ALA 3 HA ALA 3 -6.051 -7.319 -1.106 487 1HB ALA 3 1HB ALA 3 -6.932 -5.666 0.489 488 2HB ALA 3 2HB ALA 3 -5.613 -6.611 1.181 489 3HB ALA 3 3HB ALA 3 -7.282 -6.967 1.629 490 H LEU 4 H LEU 4 -8.272 -9.472 0.253 491 HA LEU 4 HA LEU 4 -6.340 -11.224 1.483 492 1HB LEU 4 2HB LEU 4 -9.295 -11.541 0.980 493 2HB LEU 4 1HB LEU 4 -8.321 -12.575 2.012 494 HG LEU 4 HG LEU 4 -9.431 -11.140 3.502 495 1HD1 LEU 4 1HD1 LEU 4 -6.681 -10.112 2.896 496 2HD1 LEU 4 2HD1 LEU 4 -7.186 -11.221 4.173 497 3HD1 LEU 4 3HD1 LEU 4 -7.628 -9.515 4.261 498 1HD2 LEU 4 1HD2 LEU 4 -8.722 -8.821 1.698 499 2HD2 LEU 4 2HD2 LEU 4 -9.612 -8.724 3.219 500 3HD2 LEU 4 3HD2 LEU 4 -10.311 -9.572 1.842 501 H LYS 5 H LYS 5 -8.369 -11.111 -1.348 502 HA LYS 5 HA LYS 5 -7.558 -13.697 -2.324 503 1HB LYS 5 1HB LYS 5 -9.832 -12.914 -2.709 504 2HB LYS 5 2HB LYS 5 -9.226 -11.521 -3.590 505 1HG LYS 5 2HG LYS 5 -8.597 -14.299 -4.503 506 2HG LYS 5 1HG LYS 5 -10.133 -13.532 -4.904 507 1HD LYS 5 2HD LYS 5 -8.903 -11.651 -5.913 508 2HD LYS 5 1HD LYS 5 -7.385 -12.476 -5.554 509 1HE LYS 5 2HE LYS 5 -8.020 -12.830 -7.873 510 2HE LYS 5 1HE LYS 5 -8.072 -14.349 -6.975 511 1HZ LYS 5 1HZ LYS 5 -10.400 -14.313 -6.929 512 2HZ LYS 5 2HZ LYS 5 -10.000 -13.869 -8.511 513 3HZ LYS 5 3HZ LYS 5 -10.486 -12.690 -7.402 514 H ILE 6 H ILE 6 -6.630 -10.368 -2.794 515 HA ILE 6 HA ILE 6 -5.388 -10.478 -5.264 516 HB ILE 6 HB ILE 6 -5.666 -8.393 -4.006 517 1HG1 ILE 6 1HG1 ILE 6 -3.792 -8.809 -5.726 518 2HG1 ILE 6 2HG1 ILE 6 -3.714 -7.345 -4.756 519 1HG2 ILE 6 1HG2 ILE 6 -4.338 -7.817 -2.107 520 2HG2 ILE 6 2HG2 ILE 6 -3.437 -9.330 -2.215 521 3HG2 ILE 6 3HG2 ILE 6 -5.146 -9.348 -1.780 522 1HD1 ILE 6 1HD1 ILE 6 -1.688 -9.144 -5.147 523 2HD1 ILE 6 2HD1 ILE 6 -2.319 -9.602 -3.564 524 3HD1 ILE 6 3HD1 ILE 6 -1.771 -7.950 -3.851 525 H LEU 7 H LEU 7 -4.055 -11.066 -2.073 526 HA LEU 7 HA LEU 7 -1.675 -12.249 -3.200 527 1HB LEU 7 1HB LEU 7 -0.707 -11.631 -1.280 528 2HB LEU 7 2HB LEU 7 -2.203 -10.808 -0.892 529 HG LEU 7 HG LEU 7 -2.881 -13.152 0.096 530 1HD1 LEU 7 1HD1 LEU 7 -0.192 -13.603 -0.670 531 2HD1 LEU 7 2HD1 LEU 7 -1.293 -14.695 0.169 532 3HD1 LEU 7 3HD1 LEU 7 -0.260 -13.599 1.093 533 1HD2 LEU 7 1HD2 LEU 7 -1.988 -12.444 2.264 534 2HD2 LEU 7 2HD2 LEU 7 -2.714 -11.102 1.379 535 3HD2 LEU 7 3HD2 LEU 7 -0.959 -11.267 1.448 536 H ASN 8 H ASN 8 -4.776 -13.133 -2.278 537 HA ASN 8 HA ASN 8 -5.852 -15.129 -2.048 538 1HB ASN 8 2HB ASN 8 -3.315 -16.163 -3.329 539 2HB ASN 8 1HB ASN 8 -4.742 -17.156 -3.036 540 1HD2 ASN 8 1HD2 ASN 8 -3.164 -15.416 -5.298 541 2HD2 ASN 8 2HD2 ASN 8 -4.485 -15.040 -6.362 542 H ASN 9 H ASN 9 -4.334 -14.108 0.148 543 HA ASN 9 HA ASN 9 -3.715 -14.657 2.249 544 1HB ASN 9 1HB ASN 9 -4.947 -17.319 1.519 545 2HB ASN 9 2HB ASN 9 -4.518 -16.813 3.151 546 1HD2 ASN 9 2HD2 ASN 9 -5.473 -14.074 1.666 547 2HD2 ASN 9 1HD2 ASN 9 -7.150 -14.073 2.080 548 H ILE 10 H ILE 10 -1.777 -14.996 3.035 549 HA ILE 10 HA ILE 10 0.320 -16.175 1.600 550 HB ILE 10 HB ILE 10 1.591 -16.024 3.731 551 1HG1 ILE 10 1HG1 ILE 10 -1.116 -15.172 4.770 552 2HG1 ILE 10 2HG1 ILE 10 -0.122 -16.510 5.340 553 1HG2 ILE 10 1HG2 ILE 10 0.050 -13.691 2.656 554 2HG2 ILE 10 2HG2 ILE 10 1.743 -14.122 2.406 555 3HG2 ILE 10 3HG2 ILE 10 1.216 -13.482 3.965 556 1HD1 ILE 10 1HD1 ILE 10 0.097 -13.611 5.881 557 2HD1 ILE 10 2HD1 ILE 10 1.586 -14.558 5.821 558 3HD1 ILE 10 3HD1 ILE 10 0.310 -14.990 6.962 559 H ARG 11 H ARG 11 -1.876 -17.493 3.996 560 HA ARG 11 HA ARG 11 -0.497 -19.805 4.712 561 1HB ARG 11 1HB ARG 11 -2.784 -20.748 5.181 562 2HB ARG 11 2HB ARG 11 -2.452 -19.194 5.933 563 1HG ARG 11 2HG ARG 11 -3.748 -18.058 4.225 564 2HG ARG 11 1HG ARG 11 -4.033 -19.591 3.401 565 1HD ARG 11 2HD ARG 11 -5.954 -18.907 4.760 566 2HD ARG 11 1HD ARG 11 -5.261 -20.433 5.308 567 HE ARG 11 HE ARG 11 -4.925 -19.444 7.323 568 1HH1 ARG 11 1HH1 ARG 11 -4.956 -16.942 4.895 569 2HH1 ARG 11 2HH1 ARG 11 -4.744 -15.657 6.036 570 1HH2 ARG 11 1HH2 ARG 11 -4.648 -17.759 8.828 571 2HH2 ARG 11 2HH2 ARG 11 -4.569 -16.121 8.271 572 H THR 12 H THR 12 -2.870 -19.354 2.098 573 HA THR 12 HA THR 12 -2.541 -21.999 1.069 574 HB THR 12 HB THR 12 -3.765 -19.538 -0.201 575 HG1 THR 12 1HG THR 12 -5.416 -20.050 1.006 576 1HG2 THR 12 1HG2 THR 12 -3.962 -22.432 -1.045 577 2HG2 THR 12 2HG2 THR 12 -3.051 -21.177 -1.886 578 3HG2 THR 12 3HG2 THR 12 -4.808 -21.073 -1.784 579 H LEU 13 H LEU 13 -1.123 -18.876 0.455 580 HA LEU 13 HA LEU 13 0.088 -19.409 -2.011 581 1HB LEU 13 2HB LEU 13 -0.069 -17.164 -1.350 582 2HB LEU 13 1HB LEU 13 0.706 -17.474 0.191 583 HG LEU 13 HG LEU 13 2.844 -17.648 -0.792 584 1HD1 LEU 13 1HD2 LEU 13 2.447 -19.039 -2.659 585 2HD1 LEU 13 2HD2 LEU 13 3.129 -17.535 -3.288 586 3HD1 LEU 13 3HD2 LEU 13 1.397 -17.837 -3.419 587 1HD2 LEU 13 1HD1 LEU 13 2.976 -15.453 -0.967 588 2HD2 LEU 13 2HD1 LEU 13 1.230 -15.364 -1.197 589 3HD2 LEU 13 3HD1 LEU 13 2.297 -15.527 -2.592 590 H ARG 14 H ARG 14 1.645 -19.373 1.205 591 HA ARG 14 HA ARG 14 4.138 -20.228 0.514 592 1HB ARG 14 1HB ARG 14 2.572 -21.068 2.959 593 2HB ARG 14 2HB ARG 14 4.314 -21.215 2.776 594 1HG ARG 14 2HG ARG 14 4.476 -18.772 2.552 595 2HG ARG 14 1HG ARG 14 2.735 -18.654 2.810 596 1HD ARG 14 2HD ARG 14 3.851 -18.188 4.882 597 2HD ARG 14 1HD ARG 14 3.033 -19.742 5.017 598 HE ARG 14 HE ARG 14 5.880 -19.257 5.072 599 1HH1 ARG 14 1HH1 ARG 14 3.341 -21.621 4.719 600 2HH1 ARG 14 2HH1 ARG 14 4.380 -22.968 5.039 601 1HH2 ARG 14 1HH2 ARG 14 7.246 -21.023 5.496 602 2HH2 ARG 14 2HH2 ARG 14 6.597 -22.629 5.481 603 H ALA 15 H ALA 15 1.220 -22.058 0.481 604 HA ALA 15 HA ALA 15 2.561 -24.627 0.329 605 1HB ALA 15 1HB ALA 15 -0.346 -24.070 -0.142 606 2HB ALA 15 2HB ALA 15 0.352 -24.246 1.469 607 3HB ALA 15 3HB ALA 15 0.411 -25.591 0.330 608 H GLN 16 H GLN 16 0.479 -22.674 -1.812 609 HA GLN 16 HA GLN 16 0.715 -24.384 -4.052 610 1HB GLN 16 1HB GLN 16 -0.242 -22.593 -5.340 611 2HB GLN 16 2HB GLN 16 -1.023 -22.589 -3.764 612 1HG GLN 16 2HG GLN 16 0.399 -20.755 -3.046 613 2HG GLN 16 1HG GLN 16 1.225 -20.771 -4.603 614 1HE2 GLN 16 1HE2 GLN 16 -0.836 -19.044 -2.911 615 2HE2 GLN 16 2HE2 GLN 16 -1.856 -18.414 -4.163 616 H ALA 17 H ALA 17 2.563 -21.734 -2.850 617 HA ALA 17 HA ALA 17 4.336 -21.611 -5.125 618 1HB ALA 17 1HB ALA 17 4.310 -19.501 -4.396 619 2HB ALA 17 2HB ALA 17 5.477 -20.058 -3.195 620 3HB ALA 17 3HB ALA 17 3.760 -19.967 -2.785 621 H ARG 18 H ARG 18 4.095 -23.229 -2.124 622 HA ARG 18 HA ARG 18 6.636 -23.600 -1.226 623 1HB ARG 18 2HB ARG 18 4.613 -24.620 -0.247 624 2HB ARG 18 1HB ARG 18 4.552 -25.759 -1.583 625 1HG ARG 18 1HG ARG 18 6.658 -26.729 -0.885 626 2HG ARG 18 2HG ARG 18 6.780 -25.552 0.428 627 1HD ARG 18 2HD ARG 18 4.696 -26.406 1.378 628 2HD ARG 18 1HD ARG 18 4.591 -27.589 0.076 629 HE ARG 18 HE ARG 18 7.060 -27.903 1.356 630 1HH1 ARG 18 1HH1 ARG 18 3.663 -28.328 2.003 631 2HH1 ARG 18 2HH1 ARG 18 3.907 -29.609 3.143 632 1HH2 ARG 18 1HH2 ARG 18 7.392 -29.591 2.856 633 2HH2 ARG 18 2HH2 ARG 18 6.027 -30.325 3.628 634 H GLU 19 H GLU 19 5.219 -24.804 -4.162 635 HA GLU 19 HA GLU 19 7.636 -26.372 -4.750 636 1HB GLU 19 2HB GLU 19 4.965 -26.311 -6.167 637 2HB GLU 19 1HB GLU 19 6.320 -27.348 -6.592 638 1HG GLU 19 2HG GLU 19 6.170 -28.441 -4.415 639 2HG GLU 19 1HG GLU 19 4.814 -27.400 -3.987 640 H SER 20 H SER 20 7.797 -23.514 -4.829 641 HA SER 20 HA SER 20 8.918 -23.194 -7.439 642 1HB SER 20 2HB SER 20 6.447 -21.580 -6.760 643 2HB SER 20 1HB SER 20 7.512 -21.264 -8.128 644 HG SER 20 HG SER 20 6.660 -22.887 -9.172 645 H THR 21 H THR 21 9.029 -20.457 -7.622 646 HA THR 21 HA THR 21 10.794 -19.805 -5.394 647 HB THR 21 HB THR 21 10.335 -18.312 -7.989 648 HG1 THR 21 1HG THR 21 11.852 -20.511 -7.339 649 1HG2 THR 21 1HG2 THR 21 12.177 -17.904 -5.669 650 2HG2 THR 21 2HG2 THR 21 11.274 -16.715 -6.607 651 3HG2 THR 21 3HG2 THR 21 12.714 -17.468 -7.291 652 H LEU 22 H LEU 22 10.716 -17.624 -4.431 653 HA LEU 22 HA LEU 22 8.170 -16.982 -3.481 654 1HB LEU 22 1HB LEU 22 9.274 -15.728 -2.005 655 2HB LEU 22 2HB LEU 22 10.733 -16.376 -2.732 656 HG LEU 22 HG LEU 22 9.440 -13.812 -3.628 657 1HD1 LEU 22 1HD1 LEU 22 11.171 -12.674 -2.318 658 2HD1 LEU 22 2HD1 LEU 22 11.670 -14.229 -1.652 659 3HD1 LEU 22 3HD1 LEU 22 10.057 -13.593 -1.304 660 1HD2 LEU 22 1HD2 LEU 22 12.318 -14.436 -3.974 661 2HD2 LEU 22 2HD2 LEU 22 11.239 -13.453 -4.966 662 3HD2 LEU 22 3HD2 LEU 22 11.152 -15.214 -5.047 663 H GLU 23 H GLU 23 9.659 -16.251 -6.414 664 HA GLU 23 HA GLU 23 9.051 -13.737 -7.148 665 1HB GLU 23 2HB GLU 23 9.985 -15.445 -8.664 666 2HB GLU 23 1HB GLU 23 8.398 -16.189 -8.794 667 1HG GLU 23 1HG GLU 23 7.524 -14.152 -9.818 668 2HG GLU 23 2HG GLU 23 9.115 -13.406 -9.690 669 H THR 24 H THR 24 6.762 -16.186 -6.284 670 HA THR 24 HA THR 24 4.424 -15.295 -7.471 671 HB THR 24 HB THR 24 4.750 -16.395 -4.672 672 HG1 THR 24 1HG THR 24 4.246 -18.371 -5.683 673 1HG2 THR 24 1HG2 THR 24 2.606 -15.617 -4.551 674 2HG2 THR 24 2HG2 THR 24 2.290 -17.151 -5.359 675 3HG2 THR 24 3HG2 THR 24 2.375 -15.662 -6.298 676 H LEU 25 H LEU 25 6.085 -14.101 -4.581 677 HA LEU 25 HA LEU 25 4.086 -12.222 -3.910 678 1HB LEU 25 2HB LEU 25 5.985 -11.086 -2.627 679 2HB LEU 25 1HB LEU 25 5.456 -12.667 -2.117 680 HG LEU 25 HG LEU 25 7.444 -13.664 -3.221 681 1HD1 LEU 25 1HD2 LEU 25 7.687 -11.035 -4.335 682 2HD1 LEU 25 2HD2 LEU 25 8.601 -12.501 -4.707 683 3HD1 LEU 25 3HD2 LEU 25 9.131 -11.433 -3.406 684 1HD2 LEU 25 1HD1 LEU 25 8.995 -12.051 -1.599 685 2HD2 LEU 25 2HD1 LEU 25 8.111 -13.496 -1.103 686 3HD2 LEU 25 3HD1 LEU 25 7.375 -11.902 -0.917 687 H GLU 26 H GLU 26 7.050 -12.033 -5.844 688 HA GLU 26 HA GLU 26 6.937 -9.280 -6.335 689 1HB GLU 26 1HB GLU 26 8.912 -10.507 -6.939 690 2HB GLU 26 2HB GLU 26 8.005 -11.555 -8.023 691 1HG GLU 26 2HG GLU 26 8.170 -8.603 -8.494 692 2HG GLU 26 1HG GLU 26 9.450 -9.690 -9.026 693 H GLU 27 H GLU 27 5.057 -11.936 -7.377 694 HA GLU 27 HA GLU 27 3.841 -10.551 -9.610 695 1HB GLU 27 1HB GLU 27 3.999 -12.875 -9.933 696 2HB GLU 27 2HB GLU 27 3.430 -13.229 -8.309 697 1HG GLU 27 2HG GLU 27 1.199 -12.526 -8.889 698 2HG GLU 27 1HG GLU 27 1.741 -12.046 -10.499 699 H MET 28 H MET 28 2.646 -11.874 -6.525 700 HA MET 28 HA MET 28 0.266 -10.234 -6.704 701 1HB MET 28 2HB MET 28 1.088 -12.251 -4.615 702 2HB MET 28 1HB MET 28 -0.491 -11.482 -4.735 703 1HG MET 28 2HG MET 28 -0.854 -12.535 -6.898 704 2HG MET 28 1HG MET 28 0.739 -13.286 -6.807 705 1HE MET 28 1HE MET 28 -2.153 -15.152 -7.147 706 2HE MET 28 2HE MET 28 -1.260 -16.451 -6.359 707 3HE MET 28 3HE MET 28 -0.431 -15.358 -7.467 708 H LEU 29 H LEU 29 3.033 -10.605 -4.528 709 HA LEU 29 HA LEU 29 2.225 -8.702 -2.613 710 1HB LEU 29 2HB LEU 29 3.902 -10.282 -2.046 711 2HB LEU 29 1HB LEU 29 4.935 -9.794 -3.367 712 HG LEU 29 HG LEU 29 5.305 -7.613 -2.199 713 1HD1 LEU 29 1HD2 LEU 29 3.070 -8.264 -0.782 714 2HD1 LEU 29 2HD2 LEU 29 4.242 -7.026 -0.328 715 3HD1 LEU 29 3HD2 LEU 29 4.359 -8.646 0.359 716 1HD2 LEU 29 1HD1 LEU 29 6.377 -8.924 -0.091 717 2HD2 LEU 29 2HD1 LEU 29 7.096 -8.898 -1.701 718 3HD2 LEU 29 3HD1 LEU 29 6.107 -10.269 -1.199 719 H GLU 30 H GLU 30 3.721 -8.340 -5.735 720 HA GLU 30 HA GLU 30 4.595 -5.639 -5.345 721 1HB GLU 30 1HB GLU 30 5.658 -6.967 -7.057 722 2HB GLU 30 2HB GLU 30 4.118 -7.244 -7.859 723 1HG GLU 30 1HG GLU 30 3.959 -4.873 -8.395 724 2HG GLU 30 2HG GLU 30 5.491 -4.580 -7.572 725 H LYS 31 H LYS 31 1.636 -7.178 -6.347 726 HA LYS 31 HA LYS 31 0.473 -4.685 -7.298 727 1HB LYS 31 2HB LYS 31 -1.027 -7.253 -6.849 728 2HB LYS 31 1HB LYS 31 -1.368 -5.968 -8.003 729 1HG LYS 31 1HG LYS 31 0.930 -7.899 -8.092 730 2HG LYS 31 2HG LYS 31 -0.484 -7.899 -9.148 731 1HD LYS 31 2HD LYS 31 0.178 -5.775 -10.095 732 2HD LYS 31 1HD LYS 31 1.519 -5.649 -8.953 733 1HE LYS 31 1HE LYS 31 2.308 -6.372 -11.140 734 2HE LYS 31 2HE LYS 31 2.549 -7.635 -9.931 735 1HZ LYS 31 1HZ LYS 31 0.752 -8.863 -10.781 736 2HZ LYS 31 2HZ LYS 31 1.626 -8.365 -12.140 737 3HZ LYS 31 3HZ LYS 31 0.190 -7.576 -11.723 738 H LEU 32 H LEU 32 0.480 -6.767 -4.553 739 HA LEU 32 HA LEU 32 -1.727 -5.703 -3.162 740 1HB LEU 32 2HB LEU 32 -0.639 -7.835 -2.626 741 2HB LEU 32 1HB LEU 32 0.792 -6.967 -2.105 742 HG LEU 32 HG LEU 32 -0.517 -5.915 -0.298 743 1HD1 LEU 32 1HD2 LEU 32 -2.825 -7.413 -0.122 744 2HD1 LEU 32 2HD2 LEU 32 -2.723 -7.012 -1.837 745 3HD1 LEU 32 3HD2 LEU 32 -2.712 -5.728 -0.627 746 1HD2 LEU 32 1HD1 LEU 32 0.629 -8.125 -0.025 747 2HD2 LEU 32 2HD1 LEU 32 -0.937 -8.892 -0.289 748 3HD2 LEU 32 3HD1 LEU 32 -0.699 -7.826 1.095 749 H GLU 33 H GLU 33 1.512 -4.610 -3.721 750 HA GLU 33 HA GLU 33 1.391 -2.649 -1.570 751 1HB GLU 33 2HB GLU 33 3.595 -1.953 -2.252 752 2HB GLU 33 1HB GLU 33 3.555 -3.706 -2.166 753 1HG GLU 33 2HG GLU 33 3.473 -3.891 -4.545 754 2HG GLU 33 1HG GLU 33 3.246 -2.155 -4.727 755 H VAL 34 H VAL 34 1.112 -2.792 -5.088 756 HA VAL 34 HA VAL 34 0.956 0.005 -5.481 757 HB VAL 34 HB VAL 34 0.099 -0.415 -7.676 758 1HG1 VAL 34 1HG1 VAL 34 2.510 -1.192 -6.871 759 2HG1 VAL 34 2HG1 VAL 34 1.963 -1.368 -8.539 760 3HG1 VAL 34 3HG1 VAL 34 1.905 -2.747 -7.441 761 1HG2 VAL 34 1HG2 VAL 34 -0.070 -3.313 -7.576 762 2HG2 VAL 34 2HG2 VAL 34 -1.180 -2.134 -8.275 763 3HG2 VAL 34 3HG2 VAL 34 -1.270 -2.520 -6.556 764 H VAL 35 H VAL 35 -1.412 -2.464 -4.618 765 HA VAL 35 HA VAL 35 -3.745 -0.975 -5.093 766 HB VAL 35 HB VAL 35 -4.867 -2.289 -3.353 767 1HG1 VAL 35 1HG2 VAL 35 -3.616 -3.344 -5.635 768 2HG1 VAL 35 2HG2 VAL 35 -5.052 -3.939 -4.798 769 3HG1 VAL 35 3HG2 VAL 35 -3.458 -4.551 -4.356 770 1HG2 VAL 35 1HG1 VAL 35 -3.853 -3.234 -1.626 771 2HG2 VAL 35 2HG1 VAL 35 -2.395 -2.382 -2.130 772 3HG2 VAL 35 3HG1 VAL 35 -2.675 -4.039 -2.661 773 H VAL 36 H VAL 36 -1.582 -1.133 -2.295 774 HA VAL 36 HA VAL 36 -3.037 0.996 -0.981 775 HB VAL 36 HB VAL 36 -0.631 0.705 0.378 776 1HG1 VAL 36 1HG2 VAL 36 -2.097 0.670 2.033 777 2HG1 VAL 36 2HG2 VAL 36 -2.719 -0.894 1.513 778 3HG1 VAL 36 3HG2 VAL 36 -3.383 0.595 0.828 779 1HG2 VAL 36 1HG1 VAL 36 -0.055 -1.295 -0.803 780 2HG2 VAL 36 2HG1 VAL 36 -1.650 -1.982 -0.494 781 3HG2 VAL 36 3HG1 VAL 36 -0.528 -1.715 0.842 782 H ASN 37 H ASN 37 -0.417 0.715 -3.169 783 HA ASN 37 HA ASN 37 1.053 3.010 -2.505 784 1HB ASN 37 1HB ASN 37 1.722 1.311 -4.227 785 2HB ASN 37 2HB ASN 37 0.470 1.951 -5.289 786 1HD2 ASN 37 1HD2 ASN 37 3.629 1.929 -4.847 787 2HD2 ASN 37 2HD2 ASN 37 4.057 3.497 -5.456 788 H GLU 38 H GLU 38 -1.933 2.513 -4.225 789 HA GLU 38 HA GLU 38 -2.212 5.287 -4.979 790 1HB GLU 38 1HB GLU 38 -4.193 3.010 -5.085 791 2HB GLU 38 2HB GLU 38 -4.431 4.598 -5.797 792 1HG GLU 38 2HG GLU 38 -2.535 4.221 -7.286 793 2HG GLU 38 1HG GLU 38 -2.293 2.627 -6.572 794 H ARG 39 H ARG 39 -3.541 3.096 -2.546 795 HA ARG 39 HA ARG 39 -5.330 5.069 -1.479 796 1HB ARG 39 2HB ARG 39 -4.493 2.347 -0.505 797 2HB ARG 39 1HB ARG 39 -5.548 3.396 0.413 798 1HG ARG 39 1HG ARG 39 -6.716 1.677 -0.895 799 2HG ARG 39 2HG ARG 39 -7.207 3.327 -1.272 800 1HD ARG 39 1HD ARG 39 -5.595 3.224 -3.208 801 2HD ARG 39 2HD ARG 39 -5.453 1.500 -2.871 802 HE ARG 39 HE ARG 39 -7.422 1.202 -3.961 803 1HH1 ARG 39 1HH1 ARG 39 -7.300 4.489 -2.809 804 2HH1 ARG 39 2HH1 ARG 39 -8.830 4.923 -3.495 805 1HH2 ARG 39 1HH2 ARG 39 -9.437 1.766 -4.872 806 2HH2 ARG 39 2HH2 ARG 39 -10.043 3.377 -4.668 807 H ARG 40 H ARG 40 -2.291 3.617 -0.314 808 HA ARG 40 HA ARG 40 -2.038 4.881 2.096 809 1HB ARG 40 2HB ARG 40 0.152 4.414 0.060 810 2HB ARG 40 1HB ARG 40 0.446 4.927 1.714 811 1HG ARG 40 1HG ARG 40 -0.727 2.321 0.790 812 2HG ARG 40 2HG ARG 40 0.829 2.576 1.589 813 1HD ARG 40 1HD ARG 40 -1.923 2.960 2.776 814 2HD ARG 40 2HD ARG 40 -0.763 1.696 3.176 815 HE ARG 40 HE ARG 40 0.417 4.199 3.635 816 1HH1 ARG 40 1HH1 ARG 40 -2.086 2.142 4.914 817 2HH1 ARG 40 2HH1 ARG 40 -1.939 2.752 6.528 818 1HH2 ARG 40 1HH2 ARG 40 0.619 5.005 5.758 819 2HH2 ARG 40 2HH2 ARG 40 -0.403 4.378 7.008 820 H GLU 41 H GLU 41 -1.485 6.225 -1.118 821 HA GLU 41 HA GLU 41 -0.727 8.801 -0.007 822 1HB GLU 41 2HB GLU 41 -0.488 9.519 -2.333 823 2HB GLU 41 1HB GLU 41 0.384 8.022 -2.030 824 1HG GLU 41 2HG GLU 41 -1.393 6.749 -3.086 825 2HG GLU 41 1HG GLU 41 -2.313 8.230 -3.350 826 H GLU 42 H GLU 42 -3.494 7.489 -1.850 827 HA GLU 42 HA GLU 42 -4.889 10.029 -1.668 828 1HB GLU 42 1HB GLU 42 -5.017 8.729 -3.735 829 2HB GLU 42 2HB GLU 42 -5.754 7.392 -2.861 830 1HG GLU 42 1HG GLU 42 -7.686 8.787 -2.343 831 2HG GLU 42 2HG GLU 42 -6.946 10.133 -3.210 832 H GLU 43 H GLU 43 -5.372 6.720 -0.490 833 HA GLU 43 HA GLU 43 -7.782 7.184 0.851 834 1HB GLU 43 1HB GLU 43 -7.085 4.950 0.384 835 2HB GLU 43 2HB GLU 43 -5.620 5.151 1.332 836 1HG GLU 43 1HG GLU 43 -7.594 3.844 2.323 837 2HG GLU 43 2HG GLU 43 -6.735 4.997 3.340 838 H SER 44 H SER 44 -4.423 7.342 2.037 839 HA SER 44 HA SER 44 -4.999 7.917 4.712 840 1HB SER 44 2HB SER 44 -2.704 7.462 3.917 841 2HB SER 44 1HB SER 44 -2.711 8.984 3.026 842 HG SER 44 HG SER 44 -1.789 9.563 4.876 843 H ALA 45 H ALA 45 -4.963 9.834 1.823 844 HA ALA 45 HA ALA 45 -5.285 12.398 2.972 845 1HB ALA 45 1HB ALA 45 -4.715 12.692 0.805 846 2HB ALA 45 2HB ALA 45 -6.456 12.617 0.531 847 3HB ALA 45 3HB ALA 45 -5.462 11.173 0.299 848 H ALA 46 H ALA 46 -7.524 9.908 1.834 849 HA ALA 46 HA ALA 46 -9.926 11.324 2.125 850 1HB ALA 46 1HB ALA 46 -9.801 9.211 0.919 851 2HB ALA 46 2HB ALA 46 -10.995 9.106 2.211 852 3HB ALA 46 3HB ALA 46 -9.409 8.360 2.413 853 H ALA 47 H ALA 47 -8.050 9.373 4.390 854 HA ALA 47 HA ALA 47 -9.891 9.424 6.527 855 1HB ALA 47 1HB ALA 47 -8.057 7.834 6.460 856 2HB ALA 47 2HB ALA 47 -7.972 8.799 7.934 857 3HB ALA 47 3HB ALA 47 -6.887 9.147 6.588 858 H ALA 48 H ALA 48 -7.152 11.518 5.706 859 HA ALA 48 HA ALA 48 -7.322 13.188 7.975 860 1HB ALA 48 1HB ALA 48 -5.404 13.875 7.090 861 2HB ALA 48 2HB ALA 48 -6.315 14.718 5.837 862 3HB ALA 48 3HB ALA 48 -5.775 13.060 5.570 863 H GLU 49 H GLU 49 -8.812 13.333 4.785 864 HA GLU 49 HA GLU 49 -9.934 15.893 4.965 865 1HB GLU 49 1HB GLU 49 -9.789 14.639 2.864 866 2HB GLU 49 2HB GLU 49 -10.946 13.466 3.473 867 1HG GLU 49 1HG GLU 49 -12.047 14.966 1.963 868 2HG GLU 49 2HG GLU 49 -12.646 15.240 3.598 869 H VAL 50 H VAL 50 -11.182 12.728 5.949 870 HA VAL 50 HA VAL 50 -13.778 13.510 6.631 871 HB VAL 50 HB VAL 50 -12.088 11.343 7.887 872 1HG1 VAL 50 1HG2 VAL 50 -13.761 11.260 9.378 873 2HG1 VAL 50 2HG2 VAL 50 -14.681 10.518 8.068 874 3HG1 VAL 50 3HG2 VAL 50 -14.828 12.249 8.380 875 1HG2 VAL 50 1HG1 VAL 50 -13.497 11.573 5.343 876 2HG2 VAL 50 2HG1 VAL 50 -13.943 10.140 6.270 877 3HG2 VAL 50 3HG1 VAL 50 -12.254 10.431 5.854 878 H GLU 51 H GLU 51 -10.911 13.208 8.735 879 HA GLU 51 HA GLU 51 -12.241 14.295 11.010 880 1HB GLU 51 1HB GLU 51 -9.986 14.361 12.019 881 2HB GLU 51 2HB GLU 51 -10.360 12.799 11.306 882 1HG GLU 51 1HG GLU 51 -9.028 13.374 9.341 883 2HG GLU 51 2HG GLU 51 -8.654 14.940 10.057 884 H GLU 52 H GLU 52 -12.567 16.341 11.565 885 HA GLU 52 HA GLU 52 -10.835 18.486 11.145 886 1HB GLU 52 2HB GLU 52 -11.758 17.913 8.738 887 2HB GLU 52 1HB GLU 52 -13.170 18.798 9.295 888 1HG GLU 52 2HG GLU 52 -10.365 19.889 9.260 889 2HG GLU 52 1HG GLU 52 -11.575 20.177 8.012 890 H ARG 53 H ARG 53 -12.191 17.642 13.293 891 HA ARG 53 HA ARG 53 -13.365 18.466 15.060 892 1HB ARG 53 2HB ARG 53 -14.002 20.791 13.236 893 2HB ARG 53 1HB ARG 53 -14.334 20.729 14.961 894 1HG ARG 53 1HG ARG 53 -11.959 20.598 15.438 895 2HG ARG 53 2HG ARG 53 -11.599 20.595 13.710 896 1HD ARG 53 1HD ARG 53 -12.619 22.813 13.501 897 2HD ARG 53 2HD ARG 53 -12.960 22.816 15.231 898 HE ARG 53 HE ARG 53 -10.225 22.380 14.895 899 1HH1 ARG 53 1HH1 ARG 53 -12.575 24.890 14.333 900 2HH1 ARG 53 2HH1 ARG 53 -11.437 26.179 14.537 901 1HH2 ARG 53 1HH2 ARG 53 -8.719 24.071 15.164 902 2HH2 ARG 53 2HH2 ARG 53 -9.245 25.713 15.008 903 H THR 54 H THR 54 -15.170 19.179 12.059 904 HA THR 54 HA THR 54 -17.201 17.264 12.661 905 HB THR 54 HB THR 54 -17.972 20.187 12.861 906 HG1 THR 54 1HG THR 54 -18.177 19.837 14.990 907 1HG2 THR 54 1HG2 THR 54 -19.746 17.788 13.268 908 2HG2 THR 54 2HG2 THR 54 -19.600 18.610 11.713 909 3HG2 THR 54 3HG2 THR 54 -20.216 19.482 13.117 910 H ARG 55 H ARG 55 -18.312 16.715 10.864 911 HA ARG 55 HA ARG 55 -17.375 17.459 8.347 912 1HB ARG 55 2HB ARG 55 -20.033 16.221 9.080 913 2HB ARG 55 1HB ARG 55 -19.323 16.230 7.472 914 1HG ARG 55 1HG ARG 55 -17.537 14.820 8.163 915 2HG ARG 55 2HG ARG 55 -17.999 14.972 9.860 916 1HD ARG 55 1HD ARG 55 -18.705 12.827 8.924 917 2HD ARG 55 2HD ARG 55 -20.082 13.809 9.418 918 HE ARG 55 HE ARG 55 -20.811 13.684 7.271 919 1HH1 ARG 55 1HH1 ARG 55 -17.343 13.328 7.246 920 2HH1 ARG 55 2HH1 ARG 55 -17.250 13.121 5.528 921 1HH2 ARG 55 1HH2 ARG 55 -20.695 13.413 5.012 922 2HH2 ARG 55 2HH2 ARG 55 -19.154 13.170 4.260 923 H LYS 56 H LYS 56 -20.411 18.391 9.967 924 HA LYS 56 HA LYS 56 -20.382 21.028 9.015 925 1HB LYS 56 1HB LYS 56 -22.225 20.934 7.384 926 2HB LYS 56 2HB LYS 56 -20.809 20.051 6.831 927 1HG LYS 56 2HG LYS 56 -21.878 17.948 7.535 928 2HG LYS 56 1HG LYS 56 -23.313 18.860 8.006 929 1HD LYS 56 1HD LYS 56 -22.144 18.721 5.226 930 2HD LYS 56 2HD LYS 56 -23.574 17.854 5.787 931 1HE LYS 56 1HE LYS 56 -23.256 20.850 5.645 932 2HE LYS 56 2HE LYS 56 -24.187 19.853 4.528 933 1HZ LYS 56 1HZ LYS 56 -25.244 19.144 6.879 934 2HZ LYS 56 2HZ LYS 56 -25.869 20.368 5.893 935 3HZ LYS 56 3HZ LYS 56 -24.858 20.762 7.190 936 H LEU 57 H LEU 57 -22.422 18.301 9.959 937 HA LEU 57 HA LEU 57 -23.445 19.642 12.228 938 1HB LEU 57 2HB LEU 57 -24.740 20.860 10.542 939 2HB LEU 57 1HB LEU 57 -25.342 19.345 9.897 940 HG LEU 57 HG LEU 57 -26.500 18.915 12.042 941 1HD1 LEU 57 1HD1 LEU 57 -26.542 20.429 13.808 942 2HD1 LEU 57 2HD1 LEU 57 -25.904 21.745 12.821 943 3HD1 LEU 57 3HD1 LEU 57 -24.848 20.422 13.317 944 1HD2 LEU 57 1HD2 LEU 57 -27.164 21.572 10.780 945 2HD2 LEU 57 2HD2 LEU 57 -28.255 20.578 11.747 946 3HD2 LEU 57 3HD2 LEU 57 -27.675 19.991 10.189 Start of MODEL 12 1 H SER 1 1HT SER 1 2.935 5.463 -0.667 2 HA SER 1 HA SER 1 5.105 5.022 -0.177 3 1HB SER 1 2HB SER 1 4.392 7.104 0.901 4 2HB SER 1 1HB SER 1 3.931 6.213 2.352 5 HG SER 1 HG SER 1 5.991 5.965 2.880 6 H GLU 2 H GLU 2 3.095 3.881 2.526 7 HA GLU 2 HA GLU 2 5.152 2.284 3.681 8 1HB GLU 2 2HB GLU 2 2.156 2.143 4.038 9 2HB GLU 2 1HB GLU 2 3.335 1.293 5.027 10 1HG GLU 2 1HG GLU 2 3.008 4.263 4.787 11 2HG GLU 2 2HG GLU 2 2.536 3.253 6.153 12 H ALA 3 H ALA 3 2.805 1.809 1.203 13 HA ALA 3 HA ALA 3 2.734 -1.030 1.234 14 1HB ALA 3 1HB ALA 3 2.204 0.808 -1.098 15 2HB ALA 3 2HB ALA 3 1.022 0.398 0.145 16 3HB ALA 3 3HB ALA 3 1.659 -0.858 -0.916 17 H LEU 4 H LEU 4 4.862 1.304 -0.013 18 HA LEU 4 HA LEU 4 6.258 -0.445 -1.821 19 1HB LEU 4 2HB LEU 4 6.687 2.371 -0.843 20 2HB LEU 4 1HB LEU 4 7.732 1.596 -2.020 21 HG LEU 4 HG LEU 4 6.057 1.622 -3.684 22 1HD1 LEU 4 1HD2 LEU 4 4.128 2.068 -1.427 23 2HD1 LEU 4 2HD2 LEU 4 4.113 0.817 -2.671 24 3HD1 LEU 4 3HD2 LEU 4 3.711 2.481 -3.091 25 1HD2 LEU 4 1HD1 LEU 4 5.073 4.138 -2.851 26 2HD2 LEU 4 2HD1 LEU 4 6.375 3.789 -3.992 27 3HD2 LEU 4 3HD1 LEU 4 6.734 3.987 -2.275 28 H LYS 5 H LYS 5 6.876 1.205 1.231 29 HA LYS 5 HA LYS 5 9.448 -0.003 1.612 30 1HB LYS 5 2HB LYS 5 9.062 2.251 2.412 31 2HB LYS 5 1HB LYS 5 7.737 1.700 3.427 32 1HG LYS 5 2HG LYS 5 9.863 2.142 4.641 33 2HG LYS 5 1HG LYS 5 9.223 0.508 4.855 34 1HD LYS 5 1HD LYS 5 10.769 -0.333 3.176 35 2HD LYS 5 2HD LYS 5 11.398 1.298 2.921 36 1HE LYS 5 2HE LYS 5 12.131 1.363 5.271 37 2HE LYS 5 1HE LYS 5 11.549 -0.287 5.484 38 1HZ LYS 5 1HZ LYS 5 13.267 -0.162 3.252 39 2HZ LYS 5 2HZ LYS 5 13.442 -1.058 4.676 40 3HZ LYS 5 3HZ LYS 5 14.043 0.521 4.592 41 H ILE 6 H ILE 6 6.200 -0.782 2.476 42 HA ILE 6 HA ILE 6 6.512 -2.258 4.796 43 HB ILE 6 HB ILE 6 4.295 -1.809 3.910 44 1HG1 ILE 6 2HG1 ILE 6 4.932 -4.769 3.804 45 2HG1 ILE 6 1HG1 ILE 6 4.613 -3.838 5.254 46 1HG2 ILE 6 1HG2 ILE 6 3.490 -2.559 1.859 47 2HG2 ILE 6 2HG2 ILE 6 4.769 -3.758 1.680 48 3HG2 ILE 6 3HG2 ILE 6 5.135 -2.043 1.489 49 1HD1 ILE 6 1HD1 ILE 6 2.407 -3.293 3.793 50 2HD1 ILE 6 2HD1 ILE 6 2.522 -4.596 4.980 51 3HD1 ILE 6 3HD1 ILE 6 2.776 -4.936 3.266 52 H LEU 7 H LEU 7 6.608 -3.280 1.461 53 HA LEU 7 HA LEU 7 7.839 -5.805 2.209 54 1HB LEU 7 2HB LEU 7 6.760 -6.716 0.449 55 2HB LEU 7 1HB LEU 7 5.784 -5.261 0.517 56 HG LEU 7 HG LEU 7 7.614 -4.330 -1.133 57 1HD1 LEU 7 1HD1 LEU 7 7.821 -6.696 -2.596 58 2HD1 LEU 7 2HD1 LEU 7 8.266 -7.131 -0.943 59 3HD1 LEU 7 3HD1 LEU 7 9.124 -5.832 -1.772 60 1HD2 LEU 7 1HD2 LEU 7 6.166 -5.628 -2.967 61 2HD2 LEU 7 2HD2 LEU 7 5.546 -4.265 -2.032 62 3HD2 LEU 7 3HD2 LEU 7 5.161 -5.917 -1.547 63 H ASN 8 H ASN 8 8.562 -2.728 1.192 64 HA ASN 8 HA ASN 8 10.485 -1.713 0.486 65 1HB ASN 8 2HB ASN 8 11.781 -4.421 0.900 66 2HB ASN 8 1HB ASN 8 12.616 -2.875 0.757 67 1HD2 ASN 8 1HD2 ASN 8 13.301 -2.118 2.603 68 2HD2 ASN 8 2HD2 ASN 8 12.530 -2.320 4.147 69 H ASN 9 H ASN 9 8.671 -3.016 -1.366 70 HA ASN 9 HA ASN 9 8.452 -3.420 -3.583 71 1HB ASN 9 2HB ASN 9 11.259 -2.301 -3.700 72 2HB ASN 9 1HB ASN 9 10.214 -2.565 -5.095 73 1HD2 ASN 9 1HD2 ASN 9 8.221 -1.650 -2.626 74 2HD2 ASN 9 2HD2 ASN 9 8.173 0.047 -2.926 75 H ILE 10 H ILE 10 8.457 -5.281 -4.648 76 HA ILE 10 HA ILE 10 9.833 -7.545 -3.846 77 HB ILE 10 HB ILE 10 9.146 -8.606 -5.919 78 1HG1 ILE 10 1HG1 ILE 10 9.607 -6.680 -7.431 79 2HG1 ILE 10 2HG1 ILE 10 8.027 -7.407 -7.695 80 1HG2 ILE 10 1HG2 ILE 10 7.327 -7.052 -4.219 81 2HG2 ILE 10 2HG2 ILE 10 7.358 -8.779 -4.585 82 3HG2 ILE 10 3HG2 ILE 10 6.630 -7.647 -5.727 83 1HD1 ILE 10 1HD1 ILE 10 7.348 -5.472 -5.974 84 2HD1 ILE 10 2HD1 ILE 10 7.375 -5.262 -7.724 85 3HD1 ILE 10 3HD1 ILE 10 8.740 -4.718 -6.749 86 H ARG 11 H ARG 11 10.807 -5.083 -6.128 87 HA ARG 11 HA ARG 11 12.779 -6.414 -7.544 88 1HB ARG 11 2HB ARG 11 13.839 -4.199 -7.836 89 2HB ARG 11 1HB ARG 11 12.104 -4.155 -8.112 90 1HG ARG 11 2HG ARG 11 11.783 -3.240 -5.854 91 2HG ARG 11 1HG ARG 11 13.532 -3.242 -5.623 92 1HD ARG 11 1HD ARG 11 12.009 -1.691 -7.713 93 2HD ARG 11 2HD ARG 11 12.753 -1.028 -6.259 94 HE ARG 11 HE ARG 11 14.036 -1.491 -8.713 95 1HH1 ARG 11 1HH1 ARG 11 14.568 -1.893 -5.290 96 2HH1 ARG 11 2HH1 ARG 11 16.292 -1.780 -5.417 97 1HH2 ARG 11 1HH2 ARG 11 16.303 -1.339 -8.884 98 2HH2 ARG 11 2HH2 ARG 11 17.278 -1.464 -7.458 99 H THR 12 H THR 12 13.005 -4.813 -4.392 100 HA THR 12 HA THR 12 15.765 -5.652 -4.065 101 HB THR 12 HB THR 12 13.946 -4.159 -2.165 102 HG1 THR 12 1HG THR 12 15.139 -2.349 -2.877 103 1HG2 THR 12 1HG2 THR 12 15.983 -3.617 -0.937 104 2HG2 THR 12 2HG2 THR 12 16.935 -4.590 -2.059 105 3HG2 THR 12 3HG2 THR 12 15.750 -5.364 -1.007 106 H LEU 13 H LEU 13 12.581 -6.409 -2.727 107 HA LEU 13 HA LEU 13 13.489 -8.096 -0.659 108 1HB LEU 13 2HB LEU 13 11.235 -7.099 -0.742 109 2HB LEU 13 1HB LEU 13 10.834 -8.158 -2.080 110 HG LEU 13 HG LEU 13 11.642 -9.200 0.634 111 1HD1 LEU 13 1HD1 LEU 13 9.160 -9.630 0.881 112 2HD1 LEU 13 2HD1 LEU 13 8.931 -8.473 -0.430 113 3HD1 LEU 13 3HD1 LEU 13 9.692 -7.959 1.076 114 1HD2 LEU 13 1HD2 LEU 13 10.344 -10.439 -1.785 115 2HD2 LEU 13 2HD2 LEU 13 10.384 -11.210 -0.198 116 3HD2 LEU 13 3HD2 LEU 13 11.893 -10.862 -1.051 117 H ARG 14 H ARG 14 12.057 -8.966 -3.806 118 HA ARG 14 HA ARG 14 12.204 -11.664 -3.694 119 1HB ARG 14 1HB ARG 14 11.254 -10.407 -5.560 120 2HB ARG 14 2HB ARG 14 12.863 -9.913 -6.062 121 1HG ARG 14 1HG ARG 14 13.431 -12.227 -6.553 122 2HG ARG 14 2HG ARG 14 11.819 -12.733 -6.035 123 1HD ARG 14 2HD ARG 14 10.834 -11.308 -7.771 124 2HD ARG 14 1HD ARG 14 12.451 -10.856 -8.304 125 HE ARG 14 HE ARG 14 11.047 -13.170 -9.058 126 1HH1 ARG 14 1HH1 ARG 14 14.240 -12.167 -8.089 127 2HH1 ARG 14 2HH1 ARG 14 15.040 -13.435 -8.955 128 1HH2 ARG 14 1HH2 ARG 14 12.091 -14.844 -10.196 129 2HH2 ARG 14 2HH2 ARG 14 13.819 -14.957 -10.152 130 H ALA 15 H ALA 15 14.881 -9.465 -4.112 131 HA ALA 15 HA ALA 15 16.737 -11.593 -4.774 132 1HB ALA 15 1HB ALA 15 17.368 -8.728 -4.154 133 2HB ALA 15 2HB ALA 15 16.870 -9.298 -5.746 134 3HB ALA 15 3HB ALA 15 18.366 -9.891 -5.024 135 H GLN 16 H GLN 16 16.406 -9.225 -2.128 136 HA GLN 16 HA GLN 16 18.496 -10.230 -0.544 137 1HB GLN 16 1HB GLN 16 17.551 -8.930 1.264 138 2HB GLN 16 2HB GLN 16 17.381 -8.011 -0.227 139 1HG GLN 16 2HG GLN 16 15.062 -8.690 -0.406 140 2HG GLN 16 1HG GLN 16 15.218 -9.671 1.046 141 1HE2 GLN 16 1HE2 GLN 16 13.884 -6.986 0.001 142 2HE2 GLN 16 2HE2 GLN 16 13.965 -5.993 1.415 143 H ALA 17 H ALA 17 15.159 -11.068 -0.836 144 HA ALA 17 HA ALA 17 15.196 -12.910 1.387 145 1HB ALA 17 1HB ALA 17 13.233 -11.440 0.023 146 2HB ALA 17 2HB ALA 17 13.018 -12.527 1.400 147 3HB ALA 17 3HB ALA 17 12.861 -13.146 -0.243 148 H ARG 18 H ARG 18 15.741 -12.940 -2.009 149 HA ARG 18 HA ARG 18 14.975 -15.476 -2.770 150 1HB ARG 18 1HB ARG 18 15.946 -13.773 -4.272 151 2HB ARG 18 2HB ARG 18 17.520 -14.047 -3.544 152 1HG ARG 18 1HG ARG 18 17.535 -16.322 -4.366 153 2HG ARG 18 2HG ARG 18 15.919 -16.103 -5.046 154 1HD ARG 18 2HD ARG 18 16.787 -14.300 -6.466 155 2HD ARG 18 1HD ARG 18 18.401 -14.582 -5.817 156 HE ARG 18 HE ARG 18 17.194 -16.000 -7.921 157 1HH1 ARG 18 1HH1 ARG 18 19.108 -16.556 -5.059 158 2HH1 ARG 18 2HH1 ARG 18 19.821 -18.013 -5.665 159 1HH2 ARG 18 1HH2 ARG 18 18.127 -17.917 -8.721 160 2HH2 ARG 18 2HH2 ARG 18 19.263 -18.787 -7.746 161 H GLU 19 H GLU 19 17.701 -14.484 -0.828 162 HA GLU 19 HA GLU 19 19.128 -16.927 -0.911 163 1HB GLU 19 1HB GLU 19 20.313 -16.099 1.060 164 2HB GLU 19 2HB GLU 19 20.158 -14.838 -0.155 165 1HG GLU 19 1HG GLU 19 18.292 -13.872 1.093 166 2HG GLU 19 2HG GLU 19 18.466 -15.129 2.317 167 H SER 20 H SER 20 16.462 -15.784 1.059 168 HA SER 20 HA SER 20 16.561 -18.218 2.682 169 1HB SER 20 2HB SER 20 14.905 -17.102 4.113 170 2HB SER 20 1HB SER 20 16.315 -16.075 3.862 171 HG SER 20 HG SER 20 15.120 -14.680 2.828 172 H THR 21 H THR 21 13.621 -17.867 3.217 173 HA THR 21 HA THR 21 12.643 -19.310 0.846 174 HB THR 21 HB THR 21 11.537 -19.403 3.663 175 HG1 THR 21 1HG THR 21 13.754 -20.448 2.868 176 1HG2 THR 21 1HG2 THR 21 10.910 -21.701 2.115 177 2HG2 THR 21 2HG2 THR 21 10.494 -20.279 1.159 178 3HG2 THR 21 3HG2 THR 21 9.807 -20.488 2.770 179 H LEU 22 H LEU 22 10.230 -19.027 0.443 180 HA LEU 22 HA LEU 22 9.647 -16.346 0.000 181 1HB LEU 22 2HB LEU 22 7.967 -17.150 -1.220 182 2HB LEU 22 1HB LEU 22 8.573 -18.743 -0.806 183 HG LEU 22 HG LEU 22 6.487 -17.303 0.812 184 1HD1 LEU 22 1HD1 LEU 22 4.957 -19.012 -0.338 185 2HD1 LEU 22 2HD1 LEU 22 6.222 -19.096 -1.565 186 3HD1 LEU 22 3HD1 LEU 22 5.418 -17.560 -1.231 187 1HD2 LEU 22 1HD2 LEU 22 6.214 -19.210 2.019 188 2HD2 LEU 22 2HD2 LEU 22 7.944 -19.298 1.684 189 3HD2 LEU 22 3HD2 LEU 22 6.811 -20.250 0.724 190 H GLU 23 H GLU 23 9.409 -18.169 2.854 191 HA GLU 23 HA GLU 23 7.244 -17.314 4.226 192 1HB GLU 23 1HB GLU 23 8.591 -17.383 6.277 193 2HB GLU 23 2HB GLU 23 8.976 -18.732 5.218 194 1HG GLU 23 1HG GLU 23 10.979 -17.568 4.454 195 2HG GLU 23 2HG GLU 23 10.593 -16.212 5.512 196 H THR 24 H THR 24 9.898 -15.378 3.126 197 HA THR 24 HA THR 24 9.696 -13.112 4.712 198 HB THR 24 HB THR 24 11.482 -13.303 3.099 199 HG1 THR 24 1HG THR 24 11.451 -11.197 3.026 200 1HG2 THR 24 1HG2 THR 24 11.241 -13.662 0.871 201 2HG2 THR 24 2HG2 THR 24 9.771 -12.694 0.763 202 3HG2 THR 24 3HG2 THR 24 9.697 -14.342 1.385 203 H LEU 25 H LEU 25 7.811 -14.032 1.842 204 HA LEU 25 HA LEU 25 6.292 -11.654 1.788 205 1HB LEU 25 1HB LEU 25 4.633 -13.070 0.447 206 2HB LEU 25 2HB LEU 25 6.212 -12.761 -0.233 207 HG LEU 25 HG LEU 25 6.909 -15.056 0.475 208 1HD1 LEU 25 1HD2 LEU 25 5.662 -16.243 1.861 209 2HD1 LEU 25 2HD2 LEU 25 4.379 -16.283 0.645 210 3HD1 LEU 25 3HD2 LEU 25 4.410 -14.994 1.846 211 1HD2 LEU 25 1HD1 LEU 25 4.909 -16.008 -1.170 212 2HD2 LEU 25 2HD1 LEU 25 6.461 -15.341 -1.680 213 3HD2 LEU 25 3HD1 LEU 25 5.036 -14.304 -1.602 214 H GLU 26 H GLU 26 5.685 -14.852 3.233 215 HA GLU 26 HA GLU 26 3.120 -14.306 4.159 216 1HB GLU 26 1HB GLU 26 3.963 -16.541 4.282 217 2HB GLU 26 2HB GLU 26 5.297 -16.051 5.321 218 1HG GLU 26 1HG GLU 26 2.423 -15.818 6.159 219 2HG GLU 26 2HG GLU 26 3.372 -17.280 6.412 220 H GLU 27 H GLU 27 6.219 -13.187 5.167 221 HA GLU 27 HA GLU 27 5.303 -12.159 7.708 222 1HB GLU 27 1HB GLU 27 7.629 -12.892 7.428 223 2HB GLU 27 2HB GLU 27 7.873 -11.665 6.193 224 1HG GLU 27 1HG GLU 27 7.488 -9.915 7.843 225 2HG GLU 27 2HG GLU 27 7.218 -11.137 9.083 226 H MET 28 H MET 28 6.410 -10.705 4.640 227 HA MET 28 HA MET 28 5.361 -8.124 5.449 228 1HB MET 28 1HB MET 28 6.795 -8.953 2.927 229 2HB MET 28 2HB MET 28 6.357 -7.304 3.348 230 1HG MET 28 1HG MET 28 7.801 -7.437 5.322 231 2HG MET 28 2HG MET 28 8.260 -9.075 4.860 232 1HE MET 28 1HE MET 28 10.782 -8.418 4.989 233 2HE MET 28 2HE MET 28 10.416 -6.742 5.396 234 3HE MET 28 3HE MET 28 11.526 -7.106 4.075 235 H LEU 29 H LEU 29 4.838 -10.453 2.838 236 HA LEU 29 HA LEU 29 2.890 -9.110 1.378 237 1HB LEU 29 1HB LEU 29 4.075 -11.224 0.750 238 2HB LEU 29 2HB LEU 29 3.037 -12.087 1.862 239 HG LEU 29 HG LEU 29 1.107 -11.652 0.507 240 1HD1 LEU 29 1HD2 LEU 29 1.216 -10.378 -1.547 241 2HD1 LEU 29 2HD2 LEU 29 2.925 -10.043 -1.267 242 3HD1 LEU 29 3HD2 LEU 29 1.707 -9.373 -0.182 243 1HD2 LEU 29 1HD1 LEU 29 3.444 -12.470 -1.216 244 2HD2 LEU 29 2HD1 LEU 29 1.745 -12.822 -1.532 245 3HD2 LEU 29 3HD1 LEU 29 2.546 -13.533 -0.130 246 H GLU 30 H GLU 30 2.530 -11.177 4.224 247 HA GLU 30 HA GLU 30 -0.280 -11.258 4.302 248 1HB GLU 30 2HB GLU 30 1.023 -12.771 5.660 249 2HB GLU 30 1HB GLU 30 1.758 -11.429 6.527 250 1HG GLU 30 1HG GLU 30 -0.411 -10.854 7.485 251 2HG GLU 30 2HG GLU 30 -1.152 -12.193 6.611 252 H LYS 31 H LYS 31 2.026 -8.860 5.300 253 HA LYS 31 HA LYS 31 0.053 -7.307 6.758 254 1HB LYS 31 2HB LYS 31 2.811 -6.370 6.021 255 2HB LYS 31 1HB LYS 31 1.828 -5.914 7.410 256 1HG LYS 31 2HG LYS 31 3.116 -8.586 6.933 257 2HG LYS 31 1HG LYS 31 3.651 -7.359 8.084 258 1HD LYS 31 2HD LYS 31 1.636 -7.618 9.373 259 2HD LYS 31 1HD LYS 31 0.952 -8.700 8.157 260 1HE LYS 31 1HE LYS 31 1.792 -9.955 10.069 261 2HE LYS 31 2HE LYS 31 2.708 -10.333 8.608 262 1HZ LYS 31 1HZ LYS 31 3.880 -8.167 10.032 263 2HZ LYS 31 2HZ LYS 31 4.569 -9.638 9.563 264 3HZ LYS 31 3HZ LYS 31 3.729 -9.527 11.027 265 H LEU 32 H LEU 32 1.618 -7.453 3.713 266 HA LEU 32 HA LEU 32 0.935 -4.886 2.758 267 1HB LEU 32 2HB LEU 32 2.737 -6.323 1.868 268 2HB LEU 32 1HB LEU 32 1.520 -7.401 1.217 269 HG LEU 32 HG LEU 32 0.713 -5.627 -0.253 270 1HD1 LEU 32 1HD2 LEU 32 2.357 -3.977 1.519 271 2HD1 LEU 32 2HD2 LEU 32 0.933 -3.555 0.568 272 3HD1 LEU 32 3HD2 LEU 32 2.523 -3.596 -0.194 273 1HD2 LEU 32 1HD1 LEU 32 2.642 -7.058 -0.927 274 2HD2 LEU 32 2HD1 LEU 32 3.711 -5.750 -0.420 275 3HD2 LEU 32 3HD1 LEU 32 2.566 -5.494 -1.738 276 H GLU 33 H GLU 33 -0.765 -7.877 3.075 277 HA GLU 33 HA GLU 33 -2.864 -7.048 1.222 278 1HB GLU 33 1HB GLU 33 -3.948 -9.140 1.719 279 2HB GLU 33 2HB GLU 33 -2.246 -9.443 1.410 280 1HG GLU 33 1HG GLU 33 -1.804 -9.747 3.735 281 2HG GLU 33 2HG GLU 33 -3.424 -9.198 4.167 282 H VAL 34 H VAL 34 -2.372 -7.499 4.701 283 HA VAL 34 HA VAL 34 -4.984 -6.782 5.462 284 HB VAL 34 HB VAL 34 -4.061 -6.359 7.714 285 1HG1 VAL 34 1HG2 VAL 34 -2.771 -8.888 6.861 286 2HG1 VAL 34 2HG2 VAL 34 -4.493 -8.698 6.528 287 3HG1 VAL 34 3HG2 VAL 34 -3.896 -8.578 8.183 288 1HG2 VAL 34 1HG1 VAL 34 -1.857 -6.226 8.200 289 2HG2 VAL 34 2HG1 VAL 34 -1.763 -5.672 6.528 290 3HG2 VAL 34 3HG1 VAL 34 -1.397 -7.354 6.923 291 H VAL 35 H VAL 35 -2.105 -4.863 4.740 292 HA VAL 35 HA VAL 35 -2.970 -2.416 5.814 293 HB VAL 35 HB VAL 35 -1.687 -1.309 3.937 294 1HG1 VAL 35 1HG2 VAL 35 -0.195 -1.402 5.577 295 2HG1 VAL 35 2HG2 VAL 35 0.515 -2.729 4.656 296 3HG1 VAL 35 3HG2 VAL 35 -0.597 -3.072 5.984 297 1HG2 VAL 35 1HG1 VAL 35 -1.267 -4.161 3.133 298 2HG2 VAL 35 2HG1 VAL 35 -0.184 -2.860 2.640 299 3HG2 VAL 35 3HG1 VAL 35 -1.881 -2.824 2.163 300 H VAL 36 H VAL 36 -3.441 -3.834 2.581 301 HA VAL 36 HA VAL 36 -5.319 -1.797 1.856 302 HB VAL 36 HB VAL 36 -5.804 -3.898 0.122 303 1HG1 VAL 36 1HG2 VAL 36 -5.310 -1.297 -0.044 304 2HG1 VAL 36 2HG2 VAL 36 -5.230 -2.376 -1.439 305 3HG1 VAL 36 3HG2 VAL 36 -3.750 -1.909 -0.604 306 1HG2 VAL 36 1HG1 VAL 36 -2.834 -3.716 0.498 307 2HG2 VAL 36 2HG1 VAL 36 -3.727 -4.766 -0.605 308 3HG2 VAL 36 3HG1 VAL 36 -3.818 -5.031 1.136 309 H ASN 37 H ASN 37 -5.487 -4.760 3.581 310 HA ASN 37 HA ASN 37 -8.107 -5.574 3.052 311 1HB ASN 37 1HB ASN 37 -6.541 -6.854 4.483 312 2HB ASN 37 2HB ASN 37 -6.645 -5.596 5.712 313 1HD2 ASN 37 1HD2 ASN 37 -7.541 -8.573 5.166 314 2HD2 ASN 37 2HD2 ASN 37 -9.090 -8.616 5.945 315 H GLU 38 H GLU 38 -6.785 -3.064 5.081 316 HA GLU 38 HA GLU 38 -9.380 -2.226 6.060 317 1HB GLU 38 2HB GLU 38 -6.663 -0.930 6.332 318 2HB GLU 38 1HB GLU 38 -8.122 -0.421 7.168 319 1HG GLU 38 2HG GLU 38 -6.804 -3.110 7.475 320 2HG GLU 38 1HG GLU 38 -6.609 -1.750 8.580 321 H ARG 39 H ARG 39 -6.924 -1.077 3.783 322 HA ARG 39 HA ARG 39 -8.292 1.309 3.056 323 1HB ARG 39 1HB ARG 39 -6.055 -0.264 1.838 324 2HB ARG 39 2HB ARG 39 -6.770 1.085 0.979 325 1HG ARG 39 1HG ARG 39 -4.781 1.787 2.129 326 2HG ARG 39 2HG ARG 39 -6.199 2.569 2.824 327 1HD ARG 39 2HD ARG 39 -5.027 0.060 3.955 328 2HD ARG 39 1HD ARG 39 -4.450 1.654 4.436 329 HE ARG 39 HE ARG 39 -6.718 0.357 5.426 330 1HH1 ARG 39 1HH1 ARG 39 -5.797 3.480 4.212 331 2HH1 ARG 39 2HH1 ARG 39 -6.962 4.338 5.167 332 1HH2 ARG 39 1HH2 ARG 39 -8.258 1.471 6.683 333 2HH2 ARG 39 2HH2 ARG 39 -8.359 3.197 6.572 334 H ARG 40 H ARG 40 -7.878 -1.777 1.362 335 HA ARG 40 HA ARG 40 -9.387 -1.309 -0.882 336 1HB ARG 40 2HB ARG 40 -9.129 -3.840 0.743 337 2HB ARG 40 1HB ARG 40 -10.057 -3.788 -0.747 338 1HG ARG 40 2HG ARG 40 -7.156 -3.022 -0.592 339 2HG ARG 40 1HG ARG 40 -7.714 -4.660 -0.958 340 1HD ARG 40 2HD ARG 40 -7.232 -3.493 -3.013 341 2HD ARG 40 1HD ARG 40 -8.971 -3.751 -2.884 342 HE ARG 40 HE ARG 40 -8.325 -1.215 -1.852 343 1HH1 ARG 40 1HH1 ARG 40 -8.483 -2.932 -4.878 344 2HH1 ARG 40 2HH1 ARG 40 -8.802 -1.512 -5.817 345 1HH2 ARG 40 1HH2 ARG 40 -8.749 0.660 -3.079 346 2HH2 ARG 40 2HH2 ARG 40 -8.954 0.529 -4.793 347 H GLU 41 H GLU 41 -10.550 -2.182 2.337 348 HA GLU 41 HA GLU 41 -13.314 -2.177 1.488 349 1HB GLU 41 1HB GLU 41 -12.091 -2.403 4.237 350 2HB GLU 41 2HB GLU 41 -13.799 -2.607 3.874 351 1HG GLU 41 1HG GLU 41 -13.264 -4.518 2.447 352 2HG GLU 41 2HG GLU 41 -11.553 -4.315 2.824 353 H GLU 42 H GLU 42 -11.188 0.040 3.259 354 HA GLU 42 HA GLU 42 -13.355 1.794 3.986 355 1HB GLU 42 1HB GLU 42 -11.369 1.552 5.417 356 2HB GLU 42 2HB GLU 42 -10.371 2.238 4.142 357 1HG GLU 42 1HG GLU 42 -11.572 4.342 4.309 358 2HG GLU 42 2HG GLU 42 -12.618 3.658 5.551 359 H GLU 43 H GLU 43 -10.724 1.862 1.647 360 HA GLU 43 HA GLU 43 -11.109 4.415 0.637 361 1HB GLU 43 2HB GLU 43 -9.838 1.932 -0.330 362 2HB GLU 43 1HB GLU 43 -10.227 3.140 -1.554 363 1HG GLU 43 2HG GLU 43 -8.637 3.687 0.938 364 2HG GLU 43 1HG GLU 43 -7.932 3.322 -0.631 365 H SER 44 H SER 44 -12.516 1.328 -0.429 366 HA SER 44 HA SER 44 -14.020 2.322 -2.571 367 1HB SER 44 2HB SER 44 -14.671 0.051 -0.668 368 2HB SER 44 1HB SER 44 -15.487 0.341 -2.204 369 HG SER 44 HG SER 44 -13.962 -0.970 -2.877 370 H ALA 45 H ALA 45 -14.500 2.299 0.861 371 HA ALA 45 HA ALA 45 -17.193 3.199 0.920 372 1HB ALA 45 1HB ALA 45 -16.210 3.986 3.303 373 2HB ALA 45 2HB ALA 45 -14.989 2.795 2.845 374 3HB ALA 45 3HB ALA 45 -16.690 2.326 2.948 375 H ALA 46 H ALA 46 -14.038 4.793 1.051 376 HA ALA 46 HA ALA 46 -14.923 7.406 1.563 377 1HB ALA 46 1HB ALA 46 -12.727 8.110 0.729 378 2HB ALA 46 2HB ALA 46 -12.456 6.493 0.079 379 3HB ALA 46 3HB ALA 46 -12.591 6.733 1.822 380 H ALA 47 H ALA 47 -14.459 5.613 -1.437 381 HA ALA 47 HA ALA 47 -14.930 7.811 -3.178 382 1HB ALA 47 1HB ALA 47 -14.728 4.863 -3.481 383 2HB ALA 47 2HB ALA 47 -13.829 6.149 -4.287 384 3HB ALA 47 3HB ALA 47 -15.482 5.783 -4.784 385 H ALA 48 H ALA 48 -16.995 5.242 -1.887 386 HA ALA 48 HA ALA 48 -19.305 5.926 -3.366 387 1HB ALA 48 1HB ALA 48 -19.196 3.749 -2.455 388 2HB ALA 48 2HB ALA 48 -20.492 4.577 -1.591 389 3HB ALA 48 3HB ALA 48 -18.918 4.364 -0.825 390 H GLU 49 H GLU 49 -18.215 6.823 -0.109 391 HA GLU 49 HA GLU 49 -20.542 8.216 0.637 392 1HB GLU 49 2HB GLU 49 -19.182 9.221 2.399 393 2HB GLU 49 1HB GLU 49 -18.870 7.498 2.267 394 1HG GLU 49 1HG GLU 49 -16.818 7.957 1.032 395 2HG GLU 49 2HG GLU 49 -17.132 9.688 1.157 396 H VAL 50 H VAL 50 -17.593 9.311 -0.995 397 HA VAL 50 HA VAL 50 -18.396 12.065 -0.992 398 HB VAL 50 HB VAL 50 -16.482 12.430 -2.501 399 1HG1 VAL 50 1HG2 VAL 50 -16.405 11.390 0.162 400 2HG1 VAL 50 2HG2 VAL 50 -15.363 12.597 -0.593 401 3HG1 VAL 50 3HG2 VAL 50 -14.958 10.884 -0.711 402 1HG2 VAL 50 1HG1 VAL 50 -16.495 9.446 -2.573 403 2HG2 VAL 50 2HG1 VAL 50 -14.970 10.317 -2.741 404 3HG2 VAL 50 3HG1 VAL 50 -16.280 10.603 -3.888 405 H GLU 51 H GLU 51 -20.460 10.504 -2.061 406 HA GLU 51 HA GLU 51 -21.059 11.923 -4.409 407 1HB GLU 51 2HB GLU 51 -19.431 10.418 -5.446 408 2HB GLU 51 1HB GLU 51 -20.316 9.026 -4.839 409 1HG GLU 51 2HG GLU 51 -22.238 9.647 -6.209 410 2HG GLU 51 1HG GLU 51 -21.351 11.043 -6.818 411 H GLU 52 H GLU 52 -23.190 11.988 -4.639 412 HA GLU 52 HA GLU 52 -24.998 9.895 -4.386 413 1HB GLU 52 1HB GLU 52 -26.079 10.398 -2.228 414 2HB GLU 52 2HB GLU 52 -24.428 9.830 -2.025 415 1HG GLU 52 1HG GLU 52 -23.673 12.124 -1.684 416 2HG GLU 52 2HG GLU 52 -25.323 12.702 -1.902 417 H ARG 53 H ARG 53 -24.573 13.341 -3.659 418 HA ARG 53 HA ARG 53 -26.257 14.225 -5.719 419 1HB ARG 53 2HB ARG 53 -27.996 13.225 -4.215 420 2HB ARG 53 1HB ARG 53 -27.532 14.387 -2.982 421 1HG ARG 53 1HG ARG 53 -28.196 16.222 -4.444 422 2HG ARG 53 2HG ARG 53 -28.650 15.061 -5.695 423 1HD ARG 53 1HD ARG 53 -30.304 14.085 -4.159 424 2HD ARG 53 2HD ARG 53 -29.871 15.290 -2.947 425 HE ARG 53 HE ARG 53 -30.588 16.625 -5.296 426 1HH1 ARG 53 1HH1 ARG 53 -32.037 14.651 -2.817 427 2HH1 ARG 53 2HH1 ARG 53 -33.605 15.369 -2.982 428 1HH2 ARG 53 1HH2 ARG 53 -32.648 17.576 -5.520 429 2HH2 ARG 53 2HH2 ARG 53 -33.952 17.031 -4.517 430 H THR 54 H THR 54 -23.801 14.961 -5.042 431 HA THR 54 HA THR 54 -22.387 16.636 -4.504 432 HB THR 54 HB THR 54 -23.739 17.761 -6.257 433 HG1 THR 54 1HG THR 54 -22.456 19.410 -5.929 434 1HG2 THR 54 1HG2 THR 54 -25.895 18.013 -5.337 435 2HG2 THR 54 2HG2 THR 54 -25.231 19.646 -5.398 436 3HG2 THR 54 3HG2 THR 54 -25.271 18.767 -3.870 437 H ARG 55 H ARG 55 -21.514 17.415 -2.718 438 HA ARG 55 HA ARG 55 -22.861 17.249 -0.246 439 1HB ARG 55 1HB ARG 55 -20.262 18.633 -0.937 440 2HB ARG 55 2HB ARG 55 -20.820 18.286 0.695 441 1HG ARG 55 1HG ARG 55 -20.206 16.230 -1.419 442 2HG ARG 55 2HG ARG 55 -19.158 16.669 -0.069 443 1HD ARG 55 1HD ARG 55 -21.918 15.471 0.142 444 2HD ARG 55 2HD ARG 55 -20.397 14.619 0.402 445 HE ARG 55 HE ARG 55 -20.467 16.826 2.115 446 1HH1 ARG 55 1HH1 ARG 55 -22.121 13.796 1.640 447 2HH1 ARG 55 2HH1 ARG 55 -22.521 13.604 3.314 448 1HH2 ARG 55 1HH2 ARG 55 -20.988 16.581 4.321 449 2HH2 ARG 55 2HH2 ARG 55 -21.877 15.187 4.838 450 H LYS 56 H LYS 56 -21.801 20.070 -2.144 451 HA LYS 56 HA LYS 56 -24.039 21.636 -1.446 452 1HB LYS 56 2HB LYS 56 -22.965 21.686 0.763 453 2HB LYS 56 1HB LYS 56 -21.487 22.301 0.038 454 1HG LYS 56 1HG LYS 56 -22.689 24.101 1.086 455 2HG LYS 56 2HG LYS 56 -22.703 24.325 -0.665 456 1HD LYS 56 1HD LYS 56 -24.893 24.815 0.245 457 2HD LYS 56 2HD LYS 56 -24.968 23.357 -0.747 458 1HE LYS 56 1HE LYS 56 -24.859 21.979 1.272 459 2HE LYS 56 2HE LYS 56 -24.782 23.435 2.262 460 1HZ LYS 56 1HZ LYS 56 -27.037 22.229 1.849 461 2HZ LYS 56 2HZ LYS 56 -27.029 23.111 0.405 462 3HZ LYS 56 3HZ LYS 56 -26.967 23.920 1.889 463 H LEU 57 H LEU 57 -20.581 21.778 -2.223 464 HA LEU 57 HA LEU 57 -20.631 24.192 -3.651 465 1HB LEU 57 1HB LEU 57 -18.570 23.125 -2.862 466 2HB LEU 57 2HB LEU 57 -18.808 21.809 -3.995 467 HG LEU 57 HG LEU 57 -18.553 23.403 -5.870 468 1HD1 LEU 57 1HD1 LEU 57 -19.204 25.350 -4.167 469 2HD1 LEU 57 2HD1 LEU 57 -18.254 25.638 -5.626 470 3HD1 LEU 57 3HD1 LEU 57 -17.448 25.472 -4.066 471 1HD2 LEU 57 1HD2 LEU 57 -16.097 23.990 -4.443 472 2HD2 LEU 57 2HD2 LEU 57 -16.365 22.991 -5.869 473 3HD2 LEU 57 3HD2 LEU 57 -16.597 22.310 -4.260 474 H SER 1 1HT SER 1 -11.550 -7.990 1.570 475 HA SER 1 HA SER 1 -11.391 -9.887 0.303 476 1HB SER 1 1HB SER 1 -13.134 -9.626 -1.434 477 2HB SER 1 2HB SER 1 -13.570 -8.788 0.054 478 HG SER 1 HG SER 1 -12.791 -7.737 -2.425 479 H GLU 2 H GLU 2 -10.633 -7.071 -1.717 480 HA GLU 2 HA GLU 2 -9.486 -8.667 -3.809 481 1HB GLU 2 2HB GLU 2 -10.584 -6.500 -4.263 482 2HB GLU 2 1HB GLU 2 -9.327 -5.683 -3.344 483 1HG GLU 2 1HG GLU 2 -7.654 -6.418 -4.945 484 2HG GLU 2 2HG GLU 2 -8.891 -7.284 -5.855 485 H ALA 3 H ALA 3 -8.374 -7.226 -0.891 486 HA ALA 3 HA ALA 3 -5.565 -7.271 -1.650 487 1HB ALA 3 1HB ALA 3 -6.493 -5.496 -0.172 488 2HB ALA 3 2HB ALA 3 -5.141 -6.374 0.543 489 3HB ALA 3 3HB ALA 3 -6.792 -6.728 1.053 490 H LEU 4 H LEU 4 -7.903 -9.210 -0.201 491 HA LEU 4 HA LEU 4 -6.127 -10.968 1.215 492 1HB LEU 4 2HB LEU 4 -8.952 -11.621 0.565 493 2HB LEU 4 1HB LEU 4 -8.073 -11.870 2.064 494 HG LEU 4 HG LEU 4 -9.220 -9.279 1.022 495 1HD1 LEU 4 1HD1 LEU 4 -10.719 -9.382 2.844 496 2HD1 LEU 4 2HD1 LEU 4 -9.877 -10.766 3.544 497 3HD1 LEU 4 3HD1 LEU 4 -10.770 -10.948 2.033 498 1HD2 LEU 4 1HD2 LEU 4 -7.731 -8.174 2.220 499 2HD2 LEU 4 2HD2 LEU 4 -7.022 -9.681 2.808 500 3HD2 LEU 4 3HD2 LEU 4 -8.375 -8.950 3.671 501 H LYS 5 H LYS 5 -8.099 -10.971 -1.691 502 HA LYS 5 HA LYS 5 -7.281 -13.617 -2.488 503 1HB LYS 5 1HB LYS 5 -9.583 -12.767 -2.853 504 2HB LYS 5 2HB LYS 5 -8.939 -11.573 -3.969 505 1HG LYS 5 2HG LYS 5 -8.451 -14.488 -4.415 506 2HG LYS 5 1HG LYS 5 -9.972 -13.736 -4.898 507 1HD LYS 5 2HD LYS 5 -8.750 -12.131 -6.270 508 2HD LYS 5 1HD LYS 5 -7.224 -12.862 -5.773 509 1HE LYS 5 2HE LYS 5 -7.918 -14.983 -6.797 510 2HE LYS 5 1HE LYS 5 -9.428 -14.233 -7.310 511 1HZ LYS 5 1HZ LYS 5 -6.860 -14.131 -8.534 512 2HZ LYS 5 2HZ LYS 5 -7.461 -12.574 -8.251 513 3HZ LYS 5 3HZ LYS 5 -8.366 -13.676 -9.160 514 H ILE 6 H ILE 6 -6.280 -10.343 -3.077 515 HA ILE 6 HA ILE 6 -5.119 -10.510 -5.588 516 HB ILE 6 HB ILE 6 -5.226 -8.393 -4.346 517 1HG1 ILE 6 1HG1 ILE 6 -3.408 -8.900 -6.083 518 2HG1 ILE 6 2HG1 ILE 6 -3.195 -7.478 -5.077 519 1HG2 ILE 6 1HG2 ILE 6 -4.706 -9.474 -2.137 520 2HG2 ILE 6 2HG2 ILE 6 -3.958 -7.906 -2.437 521 3HG2 ILE 6 3HG2 ILE 6 -3.005 -9.381 -2.593 522 1HD1 ILE 6 1HD1 ILE 6 -1.960 -9.747 -3.846 523 2HD1 ILE 6 2HD1 ILE 6 -1.233 -8.233 -4.385 524 3HD1 ILE 6 3HD1 ILE 6 -1.399 -9.582 -5.509 525 H LEU 7 H LEU 7 -3.703 -11.142 -2.437 526 HA LEU 7 HA LEU 7 -1.481 -12.550 -3.662 527 1HB LEU 7 1HB LEU 7 -0.296 -11.862 -1.887 528 2HB LEU 7 2HB LEU 7 -1.682 -10.878 -1.460 529 HG LEU 7 HG LEU 7 -2.451 -13.081 -0.216 530 1HD1 LEU 7 1HD1 LEU 7 0.253 -13.692 -1.007 531 2HD1 LEU 7 2HD1 LEU 7 -0.954 -14.723 -0.240 532 3HD1 LEU 7 3HD1 LEU 7 0.091 -13.698 0.752 533 1HD2 LEU 7 1HD2 LEU 7 -2.241 -11.183 1.065 534 2HD2 LEU 7 2HD2 LEU 7 -0.539 -10.958 0.646 535 3HD2 LEU 7 3HD2 LEU 7 -1.010 -12.239 1.764 536 H ASN 8 H ASN 8 -4.553 -13.094 -2.543 537 HA ASN 8 HA ASN 8 -5.772 -14.966 -2.101 538 1HB ASN 8 1HB ASN 8 -3.290 -16.407 -3.075 539 2HB ASN 8 2HB ASN 8 -4.849 -17.174 -2.777 540 1HD2 ASN 8 1HD2 ASN 8 -2.914 -16.012 -5.115 541 2HD2 ASN 8 2HD2 ASN 8 -4.100 -15.619 -6.323 542 H ASN 9 H ASN 9 -3.923 -13.697 -0.185 543 HA ASN 9 HA ASN 9 -3.285 -13.894 1.968 544 1HB ASN 9 2HB ASN 9 -5.142 -16.268 1.809 545 2HB ASN 9 1HB ASN 9 -4.412 -15.703 3.314 546 1HD2 ASN 9 2HD2 ASN 9 -7.003 -15.378 1.205 547 2HD2 ASN 9 1HD2 ASN 9 -7.682 -13.926 1.853 548 H ILE 10 H ILE 10 -1.400 -14.413 2.749 549 HA ILE 10 HA ILE 10 0.457 -16.038 1.594 550 HB ILE 10 HB ILE 10 1.708 -15.993 3.701 551 1HG1 ILE 10 1HG1 ILE 10 -0.305 -16.225 5.202 552 2HG1 ILE 10 2HG1 ILE 10 0.835 -14.979 5.695 553 1HG2 ILE 10 1HG2 ILE 10 0.553 -13.625 2.390 554 2HG2 ILE 10 2HG2 ILE 10 2.237 -14.110 2.599 555 3HG2 ILE 10 3HG2 ILE 10 1.369 -13.337 3.929 556 1HD1 ILE 10 1HD1 ILE 10 -0.724 -13.370 4.415 557 2HD1 ILE 10 2HD1 ILE 10 -1.215 -13.966 6.000 558 3HD1 ILE 10 3HD1 ILE 10 -1.901 -14.678 4.540 559 H ARG 11 H ARG 11 -2.015 -17.006 3.885 560 HA ARG 11 HA ARG 11 -0.972 -19.454 4.708 561 1HB ARG 11 1HB ARG 11 -3.352 -20.117 5.076 562 2HB ARG 11 2HB ARG 11 -2.928 -18.560 5.774 563 1HG ARG 11 1HG ARG 11 -3.985 -17.417 3.902 564 2HG ARG 11 2HG ARG 11 -4.383 -18.971 3.171 565 1HD ARG 11 1HD ARG 11 -5.351 -18.073 5.880 566 2HD ARG 11 2HD ARG 11 -6.273 -17.896 4.389 567 HE ARG 11 HE ARG 11 -6.748 -20.144 4.437 568 1HH1 ARG 11 1HH1 ARG 11 -4.344 -19.421 6.858 569 2HH1 ARG 11 2HH1 ARG 11 -4.380 -21.008 7.547 570 1HH2 ARG 11 1HH2 ARG 11 -6.803 -22.228 5.344 571 2HH2 ARG 11 2HH2 ARG 11 -5.777 -22.603 6.689 572 H THR 12 H THR 12 -3.082 -18.756 1.928 573 HA THR 12 HA THR 12 -2.921 -21.458 0.953 574 HB THR 12 HB THR 12 -4.039 -18.975 -0.361 575 HG1 THR 12 1HG THR 12 -5.991 -19.695 0.419 576 1HG2 THR 12 1HG2 THR 12 -5.206 -20.549 -1.849 577 2HG2 THR 12 2HG2 THR 12 -4.332 -21.887 -1.107 578 3HG2 THR 12 3HG2 THR 12 -3.454 -20.660 -2.022 579 H LEU 13 H LEU 13 -1.444 -18.358 0.179 580 HA LEU 13 HA LEU 13 -0.259 -19.072 -2.249 581 1HB LEU 13 1HB LEU 13 -0.462 -16.756 -1.432 582 2HB LEU 13 2HB LEU 13 0.753 -17.091 -0.213 583 HG LEU 13 HG LEU 13 1.305 -17.328 -3.171 584 1HD1 LEU 13 1HD1 LEU 13 0.729 -15.062 -2.893 585 2HD1 LEU 13 2HD1 LEU 13 2.490 -15.119 -2.829 586 3HD1 LEU 13 3HD1 LEU 13 1.559 -14.961 -1.339 587 1HD2 LEU 13 1HD2 LEU 13 3.060 -17.176 -0.726 588 2HD2 LEU 13 2HD2 LEU 13 3.654 -17.040 -2.381 589 3HD2 LEU 13 3HD2 LEU 13 2.887 -18.536 -1.840 590 H ARG 14 H ARG 14 1.242 -19.009 0.998 591 HA ARG 14 HA ARG 14 3.743 -19.899 0.398 592 1HB ARG 14 1HB ARG 14 2.028 -20.673 2.755 593 2HB ARG 14 2HB ARG 14 3.739 -21.053 2.635 594 1HG ARG 14 1HG ARG 14 4.218 -18.632 2.467 595 2HG ARG 14 2HG ARG 14 2.502 -18.313 2.729 596 1HD ARG 14 1HD ARG 14 3.736 -18.110 4.814 597 2HD ARG 14 2HD ARG 14 2.621 -19.472 4.884 598 HE ARG 14 HE ARG 14 5.119 -20.404 4.025 599 1HH1 ARG 14 1HH1 ARG 14 3.605 -19.085 6.873 600 2HH1 ARG 14 2HH1 ARG 14 4.666 -19.901 7.971 601 1HH2 ARG 14 1HH2 ARG 14 6.521 -21.480 5.463 602 2HH2 ARG 14 2HH2 ARG 14 6.323 -21.261 7.171 603 H ALA 15 H ALA 15 0.810 -21.784 0.506 604 HA ALA 15 HA ALA 15 2.134 -24.322 0.268 605 1HB ALA 15 1HB ALA 15 -0.106 -23.939 1.338 606 2HB ALA 15 2HB ALA 15 -0.021 -25.276 0.193 607 3HB ALA 15 3HB ALA 15 -0.755 -23.747 -0.290 608 H GLN 16 H GLN 16 0.160 -22.328 -1.938 609 HA GLN 16 HA GLN 16 0.512 -24.067 -4.152 610 1HB GLN 16 1HB GLN 16 -0.236 -22.044 -5.505 611 2HB GLN 16 2HB GLN 16 -1.349 -22.622 -4.274 612 1HG GLN 16 2HG GLN 16 -1.471 -20.427 -3.809 613 2HG GLN 16 1HG GLN 16 -0.065 -20.809 -2.822 614 1HE2 GLN 16 2HE2 GLN 16 -1.168 -18.463 -4.556 615 2HE2 GLN 16 1HE2 GLN 16 0.265 -17.888 -5.357 616 H ALA 17 H ALA 17 2.352 -21.503 -2.829 617 HA ALA 17 HA ALA 17 4.153 -21.306 -5.088 618 1HB ALA 17 1HB ALA 17 5.358 -19.872 -3.153 619 2HB ALA 17 2HB ALA 17 3.676 -19.785 -2.617 620 3HB ALA 17 3HB ALA 17 4.119 -19.226 -4.231 621 H ARG 18 H ARG 18 3.843 -22.927 -2.066 622 HA ARG 18 HA ARG 18 6.354 -23.456 -1.193 623 1HB ARG 18 2HB ARG 18 4.179 -24.405 -0.315 624 2HB ARG 18 1HB ARG 18 4.292 -25.631 -1.569 625 1HG ARG 18 2HG ARG 18 5.097 -26.564 0.468 626 2HG ARG 18 1HG ARG 18 6.476 -26.326 -0.606 627 1HD ARG 18 1HD ARG 18 5.680 -24.316 1.481 628 2HD ARG 18 2HD ARG 18 6.787 -25.644 1.822 629 HE ARG 18 HE ARG 18 7.428 -23.223 0.539 630 1HH1 ARG 18 1HH1 ARG 18 8.055 -26.646 0.317 631 2HH1 ARG 18 2HH1 ARG 18 9.606 -26.443 -0.425 632 1HH2 ARG 18 1HH2 ARG 18 9.470 -22.951 -0.435 633 2HH2 ARG 18 2HH2 ARG 18 10.411 -24.344 -0.851 634 H GLU 19 H GLU 19 4.851 -24.663 -4.105 635 HA GLU 19 HA GLU 19 7.128 -26.395 -4.690 636 1HB GLU 19 1HB GLU 19 4.580 -25.909 -6.241 637 2HB GLU 19 2HB GLU 19 5.809 -27.100 -6.648 638 1HG GLU 19 1HG GLU 19 4.187 -27.077 -4.113 639 2HG GLU 19 2HG GLU 19 3.866 -28.083 -5.523 640 H SER 20 H SER 20 7.582 -23.519 -4.631 641 HA SER 20 HA SER 20 8.925 -23.276 -7.152 642 1HB SER 20 2HB SER 20 6.646 -21.369 -6.563 643 2HB SER 20 1HB SER 20 7.797 -21.203 -7.886 644 HG SER 20 HG SER 20 5.557 -22.671 -7.778 645 H THR 21 H THR 21 9.220 -20.474 -7.163 646 HA THR 21 HA THR 21 10.924 -20.120 -4.799 647 HB THR 21 HB THR 21 10.916 -18.527 -7.376 648 HG1 THR 21 1HG THR 21 11.652 -20.979 -7.119 649 1HG2 THR 21 1HG2 THR 21 12.942 -18.701 -5.140 650 2HG2 THR 21 2HG2 THR 21 11.895 -17.325 -5.486 651 3HG2 THR 21 3HG2 THR 21 13.142 -17.794 -6.640 652 H LEU 22 H LEU 22 11.094 -17.762 -4.020 653 HA LEU 22 HA LEU 22 8.613 -16.912 -3.098 654 1HB LEU 22 2HB LEU 22 9.798 -15.529 -1.806 655 2HB LEU 22 1HB LEU 22 11.210 -16.312 -2.486 656 HG LEU 22 HG LEU 22 9.981 -13.816 -3.636 657 1HD1 LEU 22 1HD1 LEU 22 12.031 -12.735 -2.574 658 2HD1 LEU 22 2HD1 LEU 22 12.110 -14.176 -1.559 659 3HD1 LEU 22 3HD1 LEU 22 10.681 -13.142 -1.513 660 1HD2 LEU 22 1HD2 LEU 22 12.813 -14.393 -4.051 661 2HD2 LEU 22 2HD2 LEU 22 11.584 -13.819 -5.179 662 3HD2 LEU 22 3HD2 LEU 22 11.709 -15.541 -4.810 663 H GLU 23 H GLU 23 10.056 -16.481 -6.135 664 HA GLU 23 HA GLU 23 9.400 -14.034 -7.061 665 1HB GLU 23 2HB GLU 23 8.969 -15.037 -9.255 666 2HB GLU 23 1HB GLU 23 10.352 -15.793 -8.479 667 1HG GLU 23 2HG GLU 23 8.961 -17.684 -7.821 668 2HG GLU 23 1HG GLU 23 7.568 -16.926 -8.589 669 H THR 24 H THR 24 7.194 -16.510 -6.038 670 HA THR 24 HA THR 24 4.808 -15.734 -7.205 671 HB THR 24 HB THR 24 4.890 -17.729 -5.854 672 HG1 THR 24 1HG THR 24 2.879 -17.440 -5.249 673 1HG2 THR 24 1HG2 THR 24 4.993 -17.518 -3.346 674 2HG2 THR 24 2HG2 THR 24 5.510 -15.848 -3.583 675 3HG2 THR 24 3HG2 THR 24 6.500 -17.174 -4.191 676 H LEU 25 H LEU 25 6.434 -14.422 -4.334 677 HA LEU 25 HA LEU 25 4.394 -12.556 -3.752 678 1HB LEU 25 1HB LEU 25 6.246 -11.353 -2.459 679 2HB LEU 25 2HB LEU 25 5.750 -12.937 -1.919 680 HG LEU 25 HG LEU 25 7.777 -13.890 -3.040 681 1HD1 LEU 25 1HD2 LEU 25 8.995 -12.662 -4.420 682 2HD1 LEU 25 2HD2 LEU 25 9.393 -11.575 -3.086 683 3HD1 LEU 25 3HD2 LEU 25 7.983 -11.250 -4.092 684 1HD2 LEU 25 1HD1 LEU 25 7.732 -12.090 -0.717 685 2HD2 LEU 25 2HD1 LEU 25 9.330 -12.489 -1.346 686 3HD2 LEU 25 3HD1 LEU 25 8.234 -13.775 -0.843 687 H GLU 26 H GLU 26 7.444 -12.322 -5.572 688 HA GLU 26 HA GLU 26 7.298 -9.612 -6.152 689 1HB GLU 26 2HB GLU 26 9.276 -10.834 -6.717 690 2HB GLU 26 1HB GLU 26 8.387 -11.912 -7.787 691 1HG GLU 26 2HG GLU 26 8.600 -8.965 -8.306 692 2HG GLU 26 1HG GLU 26 9.827 -10.107 -8.850 693 H GLU 27 H GLU 27 5.418 -12.282 -7.232 694 HA GLU 27 HA GLU 27 4.239 -10.902 -9.485 695 1HB GLU 27 1HB GLU 27 3.388 -13.458 -8.111 696 2HB GLU 27 2HB GLU 27 2.793 -12.870 -9.656 697 1HG GLU 27 1HG GLU 27 5.648 -13.621 -9.095 698 2HG GLU 27 2HG GLU 27 4.456 -14.676 -9.851 699 H MET 28 H MET 28 3.041 -12.111 -6.352 700 HA MET 28 HA MET 28 0.652 -10.491 -6.592 701 1HB MET 28 2HB MET 28 1.505 -12.378 -4.396 702 2HB MET 28 1HB MET 28 -0.083 -11.638 -4.559 703 1HG MET 28 1HG MET 28 -0.426 -12.818 -6.662 704 2HG MET 28 2HG MET 28 1.173 -13.545 -6.521 705 1HE MET 28 1HE MET 28 0.105 -15.725 -7.015 706 2HE MET 28 2HE MET 28 -1.625 -15.434 -6.830 707 3HE MET 28 3HE MET 28 -0.839 -16.699 -5.886 708 H LEU 29 H LEU 29 3.407 -10.761 -4.395 709 HA LEU 29 HA LEU 29 2.736 -8.796 -2.523 710 1HB LEU 29 1HB LEU 29 4.587 -10.406 -2.313 711 2HB LEU 29 2HB LEU 29 5.454 -9.581 -3.589 712 HG LEU 29 HG LEU 29 5.622 -7.585 -2.125 713 1HD1 LEU 29 1HD1 LEU 29 4.722 -9.397 0.095 714 2HD1 LEU 29 2HD1 LEU 29 3.640 -8.250 -0.694 715 3HD1 LEU 29 3HD1 LEU 29 5.068 -7.668 0.164 716 1HD2 LEU 29 1HD2 LEU 29 7.496 -9.031 -2.276 717 2HD2 LEU 29 2HD2 LEU 29 6.746 -10.219 -1.211 718 3HD2 LEU 29 3HD2 LEU 29 7.275 -8.665 -0.566 719 H GLU 30 H GLU 30 4.079 -8.489 -5.750 720 HA GLU 30 HA GLU 30 4.781 -5.731 -5.537 721 1HB GLU 30 1HB GLU 30 5.828 -7.114 -7.228 722 2HB GLU 30 2HB GLU 30 4.267 -7.472 -7.954 723 1HG GLU 30 1HG GLU 30 4.011 -5.120 -8.565 724 2HG GLU 30 2HG GLU 30 5.578 -4.764 -7.842 725 H LYS 31 H LYS 31 1.871 -7.468 -6.425 726 HA LYS 31 HA LYS 31 0.550 -5.056 -7.376 727 1HB LYS 31 2HB LYS 31 -0.802 -7.694 -6.889 728 2HB LYS 31 1HB LYS 31 -1.206 -6.447 -8.066 729 1HG LYS 31 1HG LYS 31 1.192 -8.256 -8.122 730 2HG LYS 31 2HG LYS 31 -0.227 -8.362 -9.169 731 1HD LYS 31 1HD LYS 31 0.307 -6.239 -10.181 732 2HD LYS 31 2HD LYS 31 1.634 -5.989 -9.041 733 1HE LYS 31 1HE LYS 31 2.467 -6.727 -11.212 734 2HE LYS 31 2HE LYS 31 2.801 -7.922 -9.958 735 1HZ LYS 31 1HZ LYS 31 0.297 -8.436 -11.185 736 2HZ LYS 31 2HZ LYS 31 1.657 -9.436 -11.079 737 3HZ LYS 31 3HZ LYS 31 1.510 -8.342 -12.361 738 H LEU 32 H LEU 32 0.655 -7.132 -4.623 739 HA LEU 32 HA LEU 32 -1.595 -6.127 -3.248 740 1HB LEU 32 2HB LEU 32 -0.562 -8.288 -2.765 741 2HB LEU 32 1HB LEU 32 0.886 -7.474 -2.205 742 HG LEU 32 HG LEU 32 -0.274 -6.571 -0.313 743 1HD1 LEU 32 1HD2 LEU 32 -2.864 -7.837 -0.846 744 2HD1 LEU 32 2HD2 LEU 32 -2.467 -6.477 -1.894 745 3HD1 LEU 32 3HD2 LEU 32 -2.487 -6.264 -0.144 746 1HD2 LEU 32 1HD1 LEU 32 -0.234 -9.388 -0.856 747 2HD2 LEU 32 2HD1 LEU 32 -1.562 -8.978 0.228 748 3HD2 LEU 32 3HD1 LEU 32 0.090 -8.529 0.649 749 H GLU 33 H GLU 33 1.619 -5.001 -3.755 750 HA GLU 33 HA GLU 33 1.486 -3.124 -1.527 751 1HB GLU 33 1HB GLU 33 3.679 -2.337 -2.292 752 2HB GLU 33 2HB GLU 33 3.665 -4.079 -2.062 753 1HG GLU 33 1HG GLU 33 3.679 -4.492 -4.371 754 2HG GLU 33 2HG GLU 33 3.242 -2.826 -4.754 755 H VAL 34 H VAL 34 1.406 -3.089 -5.086 756 HA VAL 34 HA VAL 34 1.174 -0.308 -5.377 757 HB VAL 34 HB VAL 34 0.270 -0.691 -7.595 758 1HG1 VAL 34 1HG1 VAL 34 2.744 -1.455 -6.713 759 2HG1 VAL 34 2HG1 VAL 34 2.263 -1.291 -8.401 760 3HG1 VAL 34 3HG1 VAL 34 2.207 -2.870 -7.618 761 1HG2 VAL 34 1HG2 VAL 34 0.102 -3.603 -6.849 762 2HG2 VAL 34 2HG2 VAL 34 -0.253 -2.906 -8.428 763 3HG2 VAL 34 3HG2 VAL 34 -1.270 -2.514 -7.041 764 H VAL 35 H VAL 35 -1.237 -2.816 -4.712 765 HA VAL 35 HA VAL 35 -3.538 -1.284 -5.161 766 HB VAL 35 HB VAL 35 -4.650 -2.645 -3.369 767 1HG1 VAL 35 1HG2 VAL 35 -5.052 -3.838 -5.203 768 2HG1 VAL 35 2HG2 VAL 35 -3.808 -4.928 -4.588 769 3HG1 VAL 35 3HG2 VAL 35 -3.391 -3.693 -5.780 770 1HG2 VAL 35 1HG1 VAL 35 -1.891 -3.775 -3.070 771 2HG2 VAL 35 2HG1 VAL 35 -3.346 -4.591 -2.497 772 3HG2 VAL 35 3HG1 VAL 35 -2.896 -3.018 -1.838 773 H VAL 36 H VAL 36 -1.575 -1.674 -2.204 774 HA VAL 36 HA VAL 36 -3.033 0.419 -0.880 775 HB VAL 36 HB VAL 36 -0.659 0.192 0.520 776 1HG1 VAL 36 1HG2 VAL 36 -2.015 -0.465 2.234 777 2HG1 VAL 36 2HG2 VAL 36 -3.007 -1.496 1.205 778 3HG1 VAL 36 3HG2 VAL 36 -3.187 0.262 1.130 779 1HG2 VAL 36 1HG1 VAL 36 -1.505 -2.575 -0.290 780 2HG2 VAL 36 2HG1 VAL 36 -0.210 -2.136 0.825 781 3HG2 VAL 36 3HG1 VAL 36 -0.067 -1.754 -0.891 782 H ASN 37 H ASN 37 -0.361 0.290 -3.046 783 HA ASN 37 HA ASN 37 1.036 2.590 -2.271 784 1HB ASN 37 1HB ASN 37 1.936 1.156 -4.011 785 2HB ASN 37 2HB ASN 37 0.531 1.453 -5.036 786 1HD2 ASN 37 1HD2 ASN 37 0.992 2.708 -6.662 787 2HD2 ASN 37 2HD2 ASN 37 2.074 4.066 -6.642 788 H GLU 38 H GLU 38 -1.914 2.107 -4.066 789 HA GLU 38 HA GLU 38 -2.253 4.935 -4.594 790 1HB GLU 38 1HB GLU 38 -4.135 2.609 -5.020 791 2HB GLU 38 2HB GLU 38 -4.414 4.255 -5.572 792 1HG GLU 38 1HG GLU 38 -2.434 4.109 -7.000 793 2HG GLU 38 2HG GLU 38 -2.169 2.453 -6.454 794 H ARG 39 H ARG 39 -3.708 2.449 -2.506 795 HA ARG 39 HA ARG 39 -5.590 4.209 -1.296 796 1HB ARG 39 2HB ARG 39 -4.518 1.512 -0.527 797 2HB ARG 39 1HB ARG 39 -5.595 2.399 0.529 798 1HG ARG 39 2HG ARG 39 -6.814 0.774 -0.761 799 2HG ARG 39 1HG ARG 39 -7.306 2.404 -1.202 800 1HD ARG 39 1HD ARG 39 -5.220 0.930 -2.739 801 2HD ARG 39 2HD ARG 39 -6.936 0.719 -3.084 802 HE ARG 39 HE ARG 39 -5.344 2.801 -4.007 803 1HH1 ARG 39 1HH1 ARG 39 -8.397 2.434 -2.362 804 2HH1 ARG 39 2HH1 ARG 39 -9.078 3.875 -3.040 805 1HH2 ARG 39 1HH2 ARG 39 -6.237 4.696 -4.900 806 2HH2 ARG 39 2HH2 ARG 39 -7.854 5.157 -4.482 807 H ARG 40 H ARG 40 -2.489 2.904 -0.161 808 HA ARG 40 HA ARG 40 -2.351 4.069 2.321 809 1HB ARG 40 2HB ARG 40 -0.156 3.569 0.312 810 2HB ARG 40 1HB ARG 40 0.188 4.278 1.882 811 1HG ARG 40 1HG ARG 40 -1.186 1.624 1.532 812 2HG ARG 40 2HG ARG 40 0.563 1.810 1.727 813 1HD ARG 40 1HD ARG 40 -0.417 1.285 3.859 814 2HD ARG 40 2HD ARG 40 0.154 2.953 3.883 815 HE ARG 40 HE ARG 40 -2.561 2.914 3.159 816 1HH1 ARG 40 1HH1 ARG 40 -0.503 2.335 5.910 817 2HH1 ARG 40 2HH1 ARG 40 -1.715 2.772 7.070 818 1HH2 ARG 40 1HH2 ARG 40 -4.161 3.493 4.679 819 2HH2 ARG 40 2HH2 ARG 40 -3.793 3.429 6.370 820 H GLU 41 H GLU 41 -1.604 5.588 -0.795 821 HA GLU 41 HA GLU 41 -0.929 8.102 0.467 822 1HB GLU 41 2HB GLU 41 -0.600 8.936 -1.801 823 2HB GLU 41 1HB GLU 41 0.233 7.409 -1.560 824 1HG GLU 41 2HG GLU 41 -1.567 6.241 -2.722 825 2HG GLU 41 1HG GLU 41 -2.401 7.775 -2.966 826 H GLU 42 H GLU 42 -3.732 6.816 -1.285 827 HA GLU 42 HA GLU 42 -5.062 9.358 -1.405 828 1HB GLU 42 1HB GLU 42 -6.018 6.547 -1.938 829 2HB GLU 42 2HB GLU 42 -7.041 7.964 -2.119 830 1HG GLU 42 2HG GLU 42 -4.469 7.495 -3.608 831 2HG GLU 42 1HG GLU 42 -6.082 7.178 -4.244 832 H GLU 43 H GLU 43 -5.237 6.532 0.652 833 HA GLU 43 HA GLU 43 -7.524 7.174 2.096 834 1HB GLU 43 1HB GLU 43 -5.150 5.462 2.549 835 2HB GLU 43 2HB GLU 43 -6.161 5.834 3.945 836 1HG GLU 43 2HG GLU 43 -7.187 4.681 1.366 837 2HG GLU 43 1HG GLU 43 -6.745 3.724 2.776 838 H SER 44 H SER 44 -4.119 7.956 2.752 839 HA SER 44 HA SER 44 -4.513 9.333 5.157 840 1HB SER 44 2HB SER 44 -2.269 8.748 4.300 841 2HB SER 44 1HB SER 44 -2.474 9.901 2.982 842 HG SER 44 HG SER 44 -1.434 10.416 5.277 843 H ALA 45 H ALA 45 -4.930 10.181 1.827 844 HA ALA 45 HA ALA 45 -5.363 12.971 2.155 845 1HB ALA 45 1HB ALA 45 -4.900 12.603 -0.025 846 2HB ALA 45 2HB ALA 45 -6.645 12.375 -0.151 847 3HB ALA 45 3HB ALA 45 -5.579 10.972 0.000 848 H ALA 46 H ALA 46 -7.465 10.129 1.988 849 HA ALA 46 HA ALA 46 -9.938 11.452 1.978 850 1HB ALA 46 1HB ALA 46 -10.866 9.297 2.742 851 2HB ALA 46 2HB ALA 46 -9.228 8.715 3.039 852 3HB ALA 46 3HB ALA 46 -9.743 9.103 1.397 853 H ALA 47 H ALA 47 -7.863 10.353 4.611 854 HA ALA 47 HA ALA 47 -9.690 10.972 6.702 855 1HB ALA 47 1HB ALA 47 -6.797 10.284 6.554 856 2HB ALA 47 2HB ALA 47 -8.110 9.466 7.400 857 3HB ALA 47 3HB ALA 47 -7.438 10.961 8.050 858 H ALA 48 H ALA 48 -6.988 12.718 5.234 859 HA ALA 48 HA ALA 48 -6.996 14.909 7.004 860 1HB ALA 48 1HB ALA 48 -5.067 14.529 5.675 861 2HB ALA 48 2HB ALA 48 -5.751 16.072 5.164 862 3HB ALA 48 3HB ALA 48 -5.998 14.628 4.180 863 H GLU 49 H GLU 49 -8.596 14.420 3.867 864 HA GLU 49 HA GLU 49 -9.658 17.022 3.667 865 1HB GLU 49 2HB GLU 49 -11.161 16.096 1.967 866 2HB GLU 49 1HB GLU 49 -9.505 15.559 1.730 867 1HG GLU 49 2HG GLU 49 -10.041 13.406 2.710 868 2HG GLU 49 1HG GLU 49 -11.692 13.942 3.017 869 H VAL 50 H VAL 50 -10.980 14.056 5.081 870 HA VAL 50 HA VAL 50 -13.518 15.255 5.674 871 HB VAL 50 HB VAL 50 -13.991 13.207 6.941 872 1HG1 VAL 50 1HG1 VAL 50 -12.649 12.416 4.374 873 2HG1 VAL 50 2HG1 VAL 50 -14.125 13.379 4.399 874 3HG1 VAL 50 3HG1 VAL 50 -14.116 11.761 5.099 875 1HG2 VAL 50 1HG2 VAL 50 -11.084 12.637 6.430 876 2HG2 VAL 50 2HG2 VAL 50 -12.246 11.366 6.811 877 3HG2 VAL 50 3HG2 VAL 50 -11.944 12.663 7.969 878 H GLU 51 H GLU 51 -11.551 16.911 6.697 879 HA GLU 51 HA GLU 51 -12.413 17.220 9.371 880 1HB GLU 51 1HB GLU 51 -10.857 15.367 9.770 881 2HB GLU 51 2HB GLU 51 -9.563 16.281 9.011 882 1HG GLU 51 1HG GLU 51 -9.717 17.967 10.768 883 2HG GLU 51 2HG GLU 51 -11.018 17.054 11.529 884 H GLU 52 H GLU 52 -12.150 19.269 10.010 885 HA GLU 52 HA GLU 52 -10.018 20.970 9.366 886 1HB GLU 52 2HB GLU 52 -10.909 20.854 7.084 887 2HB GLU 52 1HB GLU 52 -12.487 21.369 7.663 888 1HG GLU 52 2HG GLU 52 -11.542 23.515 8.339 889 2HG GLU 52 1HG GLU 52 -9.958 22.998 7.764 890 H ARG 53 H ARG 53 -13.549 20.989 9.770 891 HA ARG 53 HA ARG 53 -13.518 22.117 12.330 892 1HB ARG 53 1HB ARG 53 -14.386 24.381 11.833 893 2HB ARG 53 2HB ARG 53 -12.734 24.156 11.279 894 1HG ARG 53 1HG ARG 53 -13.476 23.901 9.006 895 2HG ARG 53 2HG ARG 53 -15.165 23.948 9.515 896 1HD ARG 53 1HD ARG 53 -14.417 26.095 8.585 897 2HD ARG 53 2HD ARG 53 -14.907 26.234 10.273 898 HE ARG 53 HE ARG 53 -12.146 25.786 10.184 899 1HH1 ARG 53 1HH1 ARG 53 -14.469 28.239 9.326 900 2HH1 ARG 53 2HH1 ARG 53 -13.360 29.549 9.554 901 1HH2 ARG 53 1HH2 ARG 53 -10.681 27.508 10.487 902 2HH2 ARG 53 2HH2 ARG 53 -11.208 29.135 10.213 903 H THR 54 H THR 54 -14.835 20.028 11.067 904 HA THR 54 HA THR 54 -16.874 19.030 10.981 905 HB THR 54 HB THR 54 -17.837 21.559 12.334 906 HG1 THR 54 1HG THR 54 -17.805 19.387 13.903 907 1HG2 THR 54 1HG2 THR 54 -19.853 20.463 12.832 908 2HG2 THR 54 2HG2 THR 54 -19.214 18.887 12.368 909 3HG2 THR 54 3HG2 THR 54 -19.566 20.094 11.131 910 H ARG 55 H ARG 55 -18.264 18.743 9.344 911 HA ARG 55 HA ARG 55 -18.346 20.618 7.210 912 1HB ARG 55 1HB ARG 55 -20.015 18.136 7.672 913 2HB ARG 55 2HB ARG 55 -19.894 19.015 6.154 914 1HG ARG 55 2HG ARG 55 -17.621 17.621 7.556 915 2HG ARG 55 1HG ARG 55 -18.506 17.007 6.158 916 1HD ARG 55 1HD ARG 55 -16.876 19.543 6.242 917 2HD ARG 55 2HD ARG 55 -16.380 18.022 5.504 918 HE ARG 55 HE ARG 55 -18.821 18.803 4.378 919 1HH1 ARG 55 1HH1 ARG 55 -15.487 19.814 4.461 920 2HH1 ARG 55 2HH1 ARG 55 -15.537 20.552 2.895 921 1HH2 ARG 55 1HH2 ARG 55 -18.896 19.772 2.315 922 2HH2 ARG 55 2HH2 ARG 55 -17.475 20.528 1.676 923 H LYS 56 H LYS 56 -21.304 19.840 6.740 924 HA LYS 56 HA LYS 56 -22.400 22.307 7.591 925 1HB LYS 56 1HB LYS 56 -23.779 19.824 6.554 926 2HB LYS 56 2HB LYS 56 -24.541 21.398 6.738 927 1HG LYS 56 1HG LYS 56 -22.226 20.761 4.921 928 2HG LYS 56 2HG LYS 56 -23.906 20.983 4.428 929 1HD LYS 56 2HD LYS 56 -22.173 23.076 5.744 930 2HD LYS 56 1HD LYS 56 -22.554 22.995 4.023 931 1HE LYS 56 1HE LYS 56 -24.925 23.275 4.528 932 2HE LYS 56 2HE LYS 56 -24.557 23.335 6.252 933 1HZ LYS 56 1HZ LYS 56 -23.404 25.254 4.313 934 2HZ LYS 56 2HZ LYS 56 -23.446 25.375 5.999 935 3HZ LYS 56 3HZ LYS 56 -24.872 25.535 5.105 936 H LEU 57 H LEU 57 -22.883 18.966 8.708 937 HA LEU 57 HA LEU 57 -24.751 19.615 10.729 938 1HB LEU 57 1HB LEU 57 -22.920 17.243 10.403 939 2HB LEU 57 2HB LEU 57 -24.120 17.367 11.674 940 HG LEU 57 HG LEU 57 -25.890 17.513 9.921 941 1HD1 LEU 57 1HD2 LEU 57 -24.800 18.322 8.014 942 2HD1 LEU 57 2HD2 LEU 57 -25.151 16.634 7.641 943 3HD1 LEU 57 3HD2 LEU 57 -23.522 17.112 8.121 944 1HD2 LEU 57 1HD1 LEU 57 -25.975 15.192 9.527 945 2HD2 LEU 57 2HD1 LEU 57 -25.116 15.382 11.054 946 3HD2 LEU 57 3HD1 LEU 57 -24.220 15.039 9.574 Start of MODEL 13 1 H SER 1 1HT SER 1 4.337 5.287 -1.074 2 HA SER 1 HA SER 1 6.273 4.804 -0.043 3 1HB SER 1 2HB SER 1 5.583 7.066 0.619 4 2HB SER 1 1HB SER 1 4.752 6.410 2.028 5 HG SER 1 HG SER 1 6.926 5.524 2.569 6 H GLU 2 H GLU 2 3.612 4.177 2.214 7 HA GLU 2 HA GLU 2 5.208 2.555 3.952 8 1HB GLU 2 2HB GLU 2 3.268 3.798 4.794 9 2HB GLU 2 1HB GLU 2 2.205 2.857 3.758 10 1HG GLU 2 1HG GLU 2 2.070 2.024 6.000 11 2HG GLU 2 2HG GLU 2 2.862 0.822 4.983 12 H ALA 3 H ALA 3 3.008 2.001 1.284 13 HA ALA 3 HA ALA 3 2.940 -0.858 1.599 14 1HB ALA 3 1HB ALA 3 2.122 0.831 -0.763 15 2HB ALA 3 2HB ALA 3 1.074 0.389 0.585 16 3HB ALA 3 3HB ALA 3 1.704 -0.860 -0.488 17 H LEU 4 H LEU 4 4.953 1.429 0.159 18 HA LEU 4 HA LEU 4 6.192 -0.308 -1.763 19 1HB LEU 4 1HB LEU 4 6.803 2.471 -0.752 20 2HB LEU 4 2HB LEU 4 7.681 1.691 -2.053 21 HG LEU 4 HG LEU 4 5.939 1.956 -3.564 22 1HD1 LEU 4 1HD2 LEU 4 4.197 0.874 -2.187 23 2HD1 LEU 4 2HD2 LEU 4 3.613 2.309 -3.027 24 3HD1 LEU 4 3HD2 LEU 4 3.986 2.387 -1.304 25 1HD2 LEU 4 1HD1 LEU 4 4.897 4.295 -2.315 26 2HD2 LEU 4 2HD1 LEU 4 6.057 4.163 -3.641 27 3HD2 LEU 4 3HD1 LEU 4 6.621 4.168 -1.967 28 H LYS 5 H LYS 5 6.949 1.175 1.337 29 HA LYS 5 HA LYS 5 9.509 -0.132 1.545 30 1HB LYS 5 2HB LYS 5 9.180 2.159 2.388 31 2HB LYS 5 1HB LYS 5 8.023 1.548 3.564 32 1HG LYS 5 1HG LYS 5 10.308 1.960 4.458 33 2HG LYS 5 2HG LYS 5 9.714 0.314 4.700 34 1HD LYS 5 2HD LYS 5 10.990 -0.423 2.746 35 2HD LYS 5 1HD LYS 5 11.591 1.221 2.518 36 1HE LYS 5 2HE LYS 5 12.078 -0.519 4.933 37 2HE LYS 5 1HE LYS 5 13.242 -0.180 3.654 38 1HZ LYS 5 1HZ LYS 5 13.731 1.797 4.531 39 2HZ LYS 5 2HZ LYS 5 12.989 1.230 5.941 40 3HZ LYS 5 3HZ LYS 5 12.114 2.181 4.850 41 H ILE 6 H ILE 6 6.248 -0.749 2.521 42 HA ILE 6 HA ILE 6 6.571 -2.289 4.802 43 HB ILE 6 HB ILE 6 4.358 -1.670 3.860 44 1HG1 ILE 6 1HG1 ILE 6 4.871 -4.626 4.237 45 2HG1 ILE 6 2HG1 ILE 6 4.382 -3.467 5.474 46 1HG2 ILE 6 1HG2 ILE 6 5.134 -2.232 1.487 47 2HG2 ILE 6 2HG2 ILE 6 3.465 -2.595 1.927 48 3HG2 ILE 6 3HG2 ILE 6 4.666 -3.886 1.875 49 1HD1 ILE 6 1HD1 ILE 6 2.375 -4.414 5.047 50 2HD1 ILE 6 2HD1 ILE 6 2.794 -4.813 3.376 51 3HD1 ILE 6 3HD1 ILE 6 2.348 -3.159 3.807 52 H LEU 7 H LEU 7 6.704 -3.154 1.410 53 HA LEU 7 HA LEU 7 7.829 -5.756 2.106 54 1HB LEU 7 2HB LEU 7 6.650 -6.618 0.405 55 2HB LEU 7 1HB LEU 7 5.768 -5.103 0.418 56 HG LEU 7 HG LEU 7 7.741 -4.391 -1.233 57 1HD1 LEU 7 1HD1 LEU 7 7.884 -7.297 -1.066 58 2HD1 LEU 7 2HD1 LEU 7 9.033 -6.141 -1.740 59 3HD1 LEU 7 3HD1 LEU 7 7.668 -6.700 -2.713 60 1HD2 LEU 7 1HD2 LEU 7 6.162 -5.316 -3.080 61 2HD2 LEU 7 2HD2 LEU 7 5.586 -4.071 -1.971 62 3HD2 LEU 7 3HD2 LEU 7 5.134 -5.756 -1.717 63 H ASN 8 H ASN 8 8.603 -2.675 1.102 64 HA ASN 8 HA ASN 8 10.510 -1.685 0.350 65 1HB ASN 8 1HB ASN 8 11.554 -3.200 2.064 66 2HB ASN 8 2HB ASN 8 11.830 -4.376 0.781 67 1HD2 ASN 8 1HD2 ASN 8 12.103 -1.337 -0.522 68 2HD2 ASN 8 2HD2 ASN 8 13.827 -1.150 -0.408 69 H ASN 9 H ASN 9 8.680 -2.930 -1.455 70 HA ASN 9 HA ASN 9 8.419 -3.383 -3.655 71 1HB ASN 9 1HB ASN 9 11.254 -2.348 -3.833 72 2HB ASN 9 2HB ASN 9 10.172 -2.593 -5.202 73 1HD2 ASN 9 1HD2 ASN 9 8.276 -1.568 -2.671 74 2HD2 ASN 9 2HD2 ASN 9 8.279 0.122 -3.009 75 H ILE 10 H ILE 10 8.348 -5.267 -4.654 76 HA ILE 10 HA ILE 10 9.684 -7.547 -3.833 77 HB ILE 10 HB ILE 10 8.884 -8.643 -5.842 78 1HG1 ILE 10 2HG1 ILE 10 9.365 -6.839 -7.458 79 2HG1 ILE 10 1HG1 ILE 10 7.714 -7.426 -7.602 80 1HG2 ILE 10 1HG2 ILE 10 7.181 -6.974 -4.135 81 2HG2 ILE 10 2HG2 ILE 10 7.124 -8.706 -4.465 82 3HG2 ILE 10 3HG2 ILE 10 6.414 -7.567 -5.610 83 1HD1 ILE 10 1HD1 ILE 10 6.993 -5.464 -6.229 84 2HD1 ILE 10 2HD1 ILE 10 7.655 -5.075 -7.816 85 3HD1 ILE 10 3HD1 ILE 10 8.642 -4.852 -6.371 86 H ARG 11 H ARG 11 10.664 -5.185 -6.223 87 HA ARG 11 HA ARG 11 12.517 -6.623 -7.682 88 1HB ARG 11 2HB ARG 11 13.683 -4.435 -8.004 89 2HB ARG 11 1HB ARG 11 11.953 -4.381 -8.314 90 1HG ARG 11 2HG ARG 11 11.593 -3.402 -6.094 91 2HG ARG 11 1HG ARG 11 13.335 -3.431 -5.812 92 1HD ARG 11 1HD ARG 11 12.592 -1.219 -6.521 93 2HD ARG 11 2HD ARG 11 13.680 -1.939 -7.706 94 HE ARG 11 HE ARG 11 11.049 -2.543 -8.440 95 1HH1 ARG 11 1HH1 ARG 11 13.166 0.213 -8.185 96 2HH1 ARG 11 2HH1 ARG 11 12.378 1.097 -9.449 97 1HH2 ARG 11 1HH2 ARG 11 10.007 -1.387 -10.106 98 2HH2 ARG 11 2HH2 ARG 11 10.584 0.188 -10.542 99 H THR 12 H THR 12 13.072 -4.841 -4.653 100 HA THR 12 HA THR 12 15.771 -5.863 -4.443 101 HB THR 12 HB THR 12 14.157 -4.180 -2.517 102 HG1 THR 12 1HG THR 12 15.233 -2.474 -3.426 103 1HG2 THR 12 1HG2 THR 12 17.114 -4.802 -2.529 104 2HG2 THR 12 2HG2 THR 12 15.936 -5.457 -1.391 105 3HG2 THR 12 3HG2 THR 12 16.279 -3.726 -1.407 106 H LEU 13 H LEU 13 12.636 -6.431 -2.945 107 HA LEU 13 HA LEU 13 13.536 -8.017 -0.809 108 1HB LEU 13 1HB LEU 13 11.304 -7.008 -0.891 109 2HB LEU 13 2HB LEU 13 10.865 -8.081 -2.204 110 HG LEU 13 HG LEU 13 11.649 -9.079 0.537 111 1HD1 LEU 13 1HD1 LEU 13 8.861 -8.688 -0.531 112 2HD1 LEU 13 2HD1 LEU 13 9.648 -7.606 0.617 113 3HD1 LEU 13 3HD1 LEU 13 9.324 -9.281 1.064 114 1HD2 LEU 13 1HD2 LEU 13 10.367 -10.353 -1.870 115 2HD2 LEU 13 2HD2 LEU 13 10.324 -11.077 -0.262 116 3HD2 LEU 13 3HD2 LEU 13 11.873 -10.810 -1.068 117 H ARG 14 H ARG 14 12.081 -9.072 -3.903 118 HA ARG 14 HA ARG 14 12.156 -11.757 -3.574 119 1HB ARG 14 1HB ARG 14 12.256 -12.021 -5.941 120 2HB ARG 14 2HB ARG 14 11.354 -10.550 -5.613 121 1HG ARG 14 1HG ARG 14 13.167 -9.179 -6.262 122 2HG ARG 14 2HG ARG 14 14.282 -10.547 -6.281 123 1HD ARG 14 1HD ARG 14 11.955 -10.089 -8.139 124 2HD ARG 14 2HD ARG 14 13.668 -9.961 -8.545 125 HE ARG 14 HE ARG 14 13.106 -12.532 -7.519 126 1HH1 ARG 14 1HH1 ARG 14 12.630 -10.577 -10.365 127 2HH1 ARG 14 2HH1 ARG 14 12.515 -11.935 -11.432 128 1HH2 ARG 14 1HH2 ARG 14 12.946 -14.320 -8.911 129 2HH2 ARG 14 2HH2 ARG 14 12.695 -14.066 -10.606 130 H ALA 15 H ALA 15 14.889 -9.676 -4.214 131 HA ALA 15 HA ALA 15 16.721 -11.878 -4.608 132 1HB ALA 15 1HB ALA 15 17.420 -8.995 -4.168 133 2HB ALA 15 2HB ALA 15 16.909 -9.638 -5.728 134 3HB ALA 15 3HB ALA 15 18.381 -10.239 -4.966 135 H GLN 16 H GLN 16 16.268 -9.362 -2.109 136 HA GLN 16 HA GLN 16 18.335 -10.257 -0.423 137 1HB GLN 16 2HB GLN 16 17.455 -8.825 1.229 138 2HB GLN 16 1HB GLN 16 16.990 -8.061 -0.284 139 1HG GLN 16 1HG GLN 16 14.755 -9.041 -0.083 140 2HG GLN 16 2HG GLN 16 15.224 -9.783 1.442 141 1HE2 GLN 16 1HE2 GLN 16 13.336 -7.525 0.406 142 2HE2 GLN 16 2HE2 GLN 16 13.542 -6.290 1.603 143 H ALA 17 H ALA 17 15.038 -11.174 -0.806 144 HA ALA 17 HA ALA 17 15.028 -13.001 1.432 145 1HB ALA 17 1HB ALA 17 12.744 -13.434 -0.090 146 2HB ALA 17 2HB ALA 17 13.072 -11.705 -0.243 147 3HB ALA 17 3HB ALA 17 12.884 -12.432 1.355 148 H ARG 18 H ARG 18 15.681 -13.020 -1.940 149 HA ARG 18 HA ARG 18 15.029 -15.588 -2.711 150 1HB ARG 18 1HB ARG 18 15.903 -13.916 -4.265 151 2HB ARG 18 2HB ARG 18 17.465 -13.959 -3.467 152 1HG ARG 18 2HG ARG 18 16.324 -16.437 -4.682 153 2HG ARG 18 1HG ARG 18 17.131 -15.229 -5.685 154 1HD ARG 18 1HD ARG 18 19.126 -15.404 -4.301 155 2HD ARG 18 2HD ARG 18 18.324 -16.594 -3.281 156 HE ARG 18 HE ARG 18 18.258 -17.503 -5.929 157 1HH1 ARG 18 1HH1 ARG 18 20.553 -16.918 -3.374 158 2HH1 ARG 18 2HH1 ARG 18 21.659 -18.138 -3.913 159 1HH2 ARG 18 1HH2 ARG 18 19.708 -19.109 -6.647 160 2HH2 ARG 18 2HH2 ARG 18 21.179 -19.382 -5.774 161 H GLU 19 H GLU 19 17.614 -14.458 -0.681 162 HA GLU 19 HA GLU 19 19.212 -16.778 -0.676 163 1HB GLU 19 1HB GLU 19 18.820 -14.721 1.506 164 2HB GLU 19 2HB GLU 19 20.120 -15.904 1.450 165 1HG GLU 19 2HG GLU 19 20.947 -14.900 -0.616 166 2HG GLU 19 1HG GLU 19 19.643 -13.714 -0.560 167 H SER 20 H SER 20 16.356 -15.862 1.160 168 HA SER 20 HA SER 20 16.468 -18.416 2.607 169 1HB SER 20 1HB SER 20 14.765 -15.972 3.150 170 2HB SER 20 2HB SER 20 14.839 -17.423 4.151 171 HG SER 20 HG SER 20 16.398 -15.298 4.268 172 H THR 21 H THR 21 13.517 -18.016 3.174 173 HA THR 21 HA THR 21 12.531 -19.310 0.725 174 HB THR 21 HB THR 21 11.323 -19.400 3.501 175 HG1 THR 21 1HG THR 21 12.209 -21.653 3.304 176 1HG2 THR 21 1HG2 THR 21 9.583 -20.393 2.525 177 2HG2 THR 21 2HG2 THR 21 10.655 -21.644 1.898 178 3HG2 THR 21 3HG2 THR 21 10.341 -20.194 0.945 179 H LEU 22 H LEU 22 10.128 -18.923 0.291 180 HA LEU 22 HA LEU 22 9.678 -16.215 -0.153 181 1HB LEU 22 1HB LEU 22 7.995 -16.937 -1.419 182 2HB LEU 22 2HB LEU 22 8.515 -18.559 -0.999 183 HG LEU 22 HG LEU 22 6.480 -17.043 0.610 184 1HD1 LEU 22 1HD1 LEU 22 6.000 -18.958 -1.663 185 2HD1 LEU 22 2HD1 LEU 22 5.660 -17.224 -1.668 186 3HD1 LEU 22 3HD1 LEU 22 4.764 -18.298 -0.592 187 1HD2 LEU 22 1HD2 LEU 22 6.155 -18.917 1.802 188 2HD2 LEU 22 2HD2 LEU 22 7.827 -19.225 1.331 189 3HD2 LEU 22 3HD2 LEU 22 6.506 -19.982 0.440 190 H GLU 23 H GLU 23 9.333 -18.015 2.694 191 HA GLU 23 HA GLU 23 7.172 -17.126 4.038 192 1HB GLU 23 1HB GLU 23 8.920 -18.545 5.036 193 2HB GLU 23 2HB GLU 23 9.987 -17.153 5.145 194 1HG GLU 23 1HG GLU 23 8.430 -16.076 6.686 195 2HG GLU 23 2HG GLU 23 7.360 -17.473 6.579 196 H THR 24 H THR 24 9.848 -15.203 2.956 197 HA THR 24 HA THR 24 9.661 -12.927 4.521 198 HB THR 24 HB THR 24 11.415 -13.145 2.868 199 HG1 THR 24 1HG THR 24 9.818 -10.969 1.993 200 1HG2 THR 24 1HG2 THR 24 10.355 -14.326 1.102 201 2HG2 THR 24 2HG2 THR 24 10.832 -12.765 0.436 202 3HG2 THR 24 3HG2 THR 24 9.152 -13.057 0.881 203 H LEU 25 H LEU 25 7.738 -13.867 1.687 204 HA LEU 25 HA LEU 25 6.214 -11.491 1.645 205 1HB LEU 25 1HB LEU 25 4.562 -12.899 0.304 206 2HB LEU 25 2HB LEU 25 6.142 -12.605 -0.376 207 HG LEU 25 HG LEU 25 6.825 -14.898 0.311 208 1HD1 LEU 25 1HD2 LEU 25 4.358 -14.810 1.746 209 2HD1 LEU 25 2HD2 LEU 25 5.607 -16.063 1.742 210 3HD1 LEU 25 3HD2 LEU 25 4.297 -16.112 0.558 211 1HD2 LEU 25 1HD1 LEU 25 4.763 -15.827 -1.279 212 2HD2 LEU 25 2HD1 LEU 25 6.313 -15.191 -1.830 213 3HD2 LEU 25 3HD1 LEU 25 4.912 -14.126 -1.718 214 H GLU 26 H GLU 26 5.716 -14.674 3.137 215 HA GLU 26 HA GLU 26 3.137 -14.219 4.081 216 1HB GLU 26 2HB GLU 26 4.059 -16.409 4.307 217 2HB GLU 26 1HB GLU 26 5.415 -15.818 5.263 218 1HG GLU 26 1HG GLU 26 3.862 -15.240 7.074 219 2HG GLU 26 2HG GLU 26 2.527 -15.873 6.113 220 H GLU 27 H GLU 27 6.187 -12.908 4.949 221 HA GLU 27 HA GLU 27 5.300 -11.803 7.477 222 1HB GLU 27 2HB GLU 27 7.803 -11.183 5.900 223 2HB GLU 27 1HB GLU 27 7.501 -10.790 7.586 224 1HG GLU 27 2HG GLU 27 7.691 -13.575 6.470 225 2HG GLU 27 1HG GLU 27 8.995 -12.717 7.289 226 H MET 28 H MET 28 6.297 -10.499 4.312 227 HA MET 28 HA MET 28 5.229 -7.891 4.992 228 1HB MET 28 2HB MET 28 6.522 -8.787 2.418 229 2HB MET 28 1HB MET 28 6.239 -7.131 2.933 230 1HG MET 28 1HG MET 28 8.119 -9.112 4.193 231 2HG MET 28 2HG MET 28 8.556 -7.698 3.236 232 1HE MET 28 1HE MET 28 9.643 -7.904 6.798 233 2HE MET 28 2HE MET 28 9.991 -6.300 6.153 234 3HE MET 28 3HE MET 28 10.143 -7.719 5.117 235 H LEU 29 H LEU 29 4.661 -10.387 2.554 236 HA LEU 29 HA LEU 29 2.623 -9.153 1.082 237 1HB LEU 29 1HB LEU 29 3.841 -11.191 0.421 238 2HB LEU 29 2HB LEU 29 3.028 -12.088 1.683 239 HG LEU 29 HG LEU 29 0.916 -11.890 0.541 240 1HD1 LEU 29 1HD2 LEU 29 2.019 -10.706 -1.904 241 2HD1 LEU 29 2HD2 LEU 29 1.877 -9.597 -0.539 242 3HD1 LEU 29 3HD2 LEU 29 0.455 -10.460 -1.126 243 1HD2 LEU 29 1HD1 LEU 29 3.242 -12.801 -1.127 244 2HD2 LEU 29 2HD1 LEU 29 1.570 -13.031 -1.636 245 3HD2 LEU 29 3HD1 LEU 29 2.147 -13.774 -0.143 246 H GLU 30 H GLU 30 2.488 -10.915 4.122 247 HA GLU 30 HA GLU 30 -0.352 -11.126 4.238 248 1HB GLU 30 2HB GLU 30 0.989 -12.633 5.549 249 2HB GLU 30 1HB GLU 30 1.761 -11.294 6.388 250 1HG GLU 30 1HG GLU 30 -0.382 -10.708 7.412 251 2HG GLU 30 2HG GLU 30 -1.144 -12.065 6.583 252 H LYS 31 H LYS 31 1.966 -8.712 5.283 253 HA LYS 31 HA LYS 31 -0.054 -7.209 6.735 254 1HB LYS 31 1HB LYS 31 2.739 -6.280 6.108 255 2HB LYS 31 2HB LYS 31 1.704 -5.809 7.453 256 1HG LYS 31 2HG LYS 31 2.948 -8.510 7.031 257 2HG LYS 31 1HG LYS 31 3.485 -7.291 8.190 258 1HD LYS 31 1HD LYS 31 1.378 -7.467 9.386 259 2HD LYS 31 2HD LYS 31 0.771 -8.613 8.186 260 1HE LYS 31 1HE LYS 31 1.528 -9.769 10.192 261 2HE LYS 31 2HE LYS 31 2.519 -10.198 8.797 262 1HZ LYS 31 1HZ LYS 31 3.263 -8.194 10.860 263 2HZ LYS 31 2HZ LYS 31 4.221 -8.690 9.557 264 3HZ LYS 31 3HZ LYS 31 3.845 -9.782 10.794 265 H LEU 32 H LEU 32 1.526 -7.268 3.698 266 HA LEU 32 HA LEU 32 0.866 -4.647 2.842 267 1HB LEU 32 2HB LEU 32 2.676 -5.986 1.880 268 2HB LEU 32 1HB LEU 32 1.496 -7.118 1.247 269 HG LEU 32 HG LEU 32 0.588 -5.374 -0.207 270 1HD1 LEU 32 1HD1 LEU 32 1.076 -3.172 -0.064 271 2HD1 LEU 32 2HD1 LEU 32 2.747 -3.463 0.417 272 3HD1 LEU 32 3HD1 LEU 32 1.451 -3.595 1.605 273 1HD2 LEU 32 1HD2 LEU 32 2.468 -5.100 -1.691 274 2HD2 LEU 32 2HD2 LEU 32 2.495 -6.713 -0.984 275 3HD2 LEU 32 3HD2 LEU 32 3.591 -5.469 -0.382 276 H GLU 33 H GLU 33 -0.793 -7.667 3.025 277 HA GLU 33 HA GLU 33 -2.892 -6.792 1.214 278 1HB GLU 33 1HB GLU 33 -3.989 -8.935 1.742 279 2HB GLU 33 2HB GLU 33 -2.341 -9.148 1.173 280 1HG GLU 33 2HG GLU 33 -2.468 -10.650 2.908 281 2HG GLU 33 1HG GLU 33 -1.738 -9.247 3.683 282 H VAL 34 H VAL 34 -2.241 -6.985 4.651 283 HA VAL 34 HA VAL 34 -4.933 -6.381 5.420 284 HB VAL 34 HB VAL 34 -4.142 -6.056 7.660 285 1HG1 VAL 34 1HG1 VAL 34 -2.721 -8.226 7.882 286 2HG1 VAL 34 2HG1 VAL 34 -3.072 -8.398 6.161 287 3HG1 VAL 34 3HG1 VAL 34 -4.393 -8.313 7.327 288 1HG2 VAL 34 1HG2 VAL 34 -2.119 -4.767 7.134 289 2HG2 VAL 34 2HG2 VAL 34 -1.335 -6.249 6.585 290 3HG2 VAL 34 3HG2 VAL 34 -1.802 -6.074 8.277 291 H VAL 35 H VAL 35 -1.974 -4.513 4.840 292 HA VAL 35 HA VAL 35 -2.819 -2.033 5.819 293 HB VAL 35 HB VAL 35 -1.374 -0.960 4.108 294 1HG1 VAL 35 1HG2 VAL 35 0.518 -2.988 4.824 295 2HG1 VAL 35 2HG2 VAL 35 -0.544 -2.617 6.187 296 3HG1 VAL 35 3HG2 VAL 35 0.371 -1.326 5.400 297 1HG2 VAL 35 1HG1 VAL 35 -1.816 -2.486 2.261 298 2HG2 VAL 35 2HG1 VAL 35 -0.912 -3.752 3.093 299 3HG2 VAL 35 3HG1 VAL 35 -0.088 -2.292 2.548 300 H VAL 36 H VAL 36 -3.252 -3.550 2.665 301 HA VAL 36 HA VAL 36 -5.029 -1.439 1.815 302 HB VAL 36 HB VAL 36 -3.461 -2.455 0.216 303 1HG1 VAL 36 1HG1 VAL 36 -3.204 -4.656 0.255 304 2HG1 VAL 36 2HG1 VAL 36 -4.696 -4.732 -0.680 305 3HG1 VAL 36 3HG1 VAL 36 -4.745 -4.896 1.077 306 1HG2 VAL 36 1HG2 VAL 36 -5.476 -3.030 -1.458 307 2HG2 VAL 36 2HG2 VAL 36 -4.958 -1.400 -1.025 308 3HG2 VAL 36 3HG2 VAL 36 -6.325 -2.138 -0.190 309 H ASN 37 H ASN 37 -5.286 -4.473 3.399 310 HA ASN 37 HA ASN 37 -7.820 -5.315 2.554 311 1HB ASN 37 1HB ASN 37 -6.527 -6.737 4.014 312 2HB ASN 37 2HB ASN 37 -6.486 -5.497 5.265 313 1HD2 ASN 37 2HD2 ASN 37 -7.681 -6.007 6.908 314 2HD2 ASN 37 1HD2 ASN 37 -9.224 -6.799 6.854 315 H GLU 38 H GLU 38 -6.792 -2.885 4.844 316 HA GLU 38 HA GLU 38 -9.444 -2.197 5.710 317 1HB GLU 38 2HB GLU 38 -6.847 -0.664 5.962 318 2HB GLU 38 1HB GLU 38 -8.346 -0.283 6.799 319 1HG GLU 38 1HG GLU 38 -8.237 -2.412 7.982 320 2HG GLU 38 2HG GLU 38 -6.742 -2.807 7.134 321 H ARG 39 H ARG 39 -7.088 -0.967 3.401 322 HA ARG 39 HA ARG 39 -8.594 1.315 2.606 323 1HB ARG 39 1HB ARG 39 -6.236 -0.153 1.489 324 2HB ARG 39 2HB ARG 39 -7.022 1.100 0.543 325 1HG ARG 39 1HG ARG 39 -5.127 2.014 1.730 326 2HG ARG 39 2HG ARG 39 -6.621 2.704 2.362 327 1HD ARG 39 2HD ARG 39 -6.465 0.803 4.109 328 2HD ARG 39 1HD ARG 39 -4.778 0.702 3.598 329 HE ARG 39 HE ARG 39 -4.383 2.518 4.895 330 1HH1 ARG 39 1HH1 ARG 39 -7.702 2.643 3.838 331 2HH1 ARG 39 2HH1 ARG 39 -8.063 4.090 4.720 332 1HH2 ARG 39 1HH2 ARG 39 -4.848 4.427 6.057 333 2HH2 ARG 39 2HH2 ARG 39 -6.440 5.104 5.980 334 H ARG 40 H ARG 40 -8.022 -1.808 1.058 335 HA ARG 40 HA ARG 40 -9.509 -1.586 -1.208 336 1HB ARG 40 1HB ARG 40 -8.718 -3.820 0.548 337 2HB ARG 40 2HB ARG 40 -10.111 -4.158 -0.473 338 1HG ARG 40 2HG ARG 40 -7.378 -3.279 -1.383 339 2HG ARG 40 1HG ARG 40 -8.073 -4.897 -1.540 340 1HD ARG 40 1HD ARG 40 -9.728 -4.100 -3.073 341 2HD ARG 40 2HD ARG 40 -9.275 -2.421 -2.778 342 HE ARG 40 HE ARG 40 -7.043 -3.839 -3.737 343 1HH1 ARG 40 1HH1 ARG 40 -10.125 -2.621 -4.815 344 2HH1 ARG 40 2HH1 ARG 40 -9.609 -2.400 -6.453 345 1HH2 ARG 40 1HH2 ARG 40 -6.353 -3.543 -5.889 346 2HH2 ARG 40 2HH2 ARG 40 -7.465 -2.924 -7.065 347 H GLU 41 H GLU 41 -10.697 -2.285 2.054 348 HA GLU 41 HA GLU 41 -13.443 -2.431 1.127 349 1HB GLU 41 2HB GLU 41 -12.291 -2.581 3.909 350 2HB GLU 41 1HB GLU 41 -13.980 -2.849 3.500 351 1HG GLU 41 1HG GLU 41 -13.335 -4.755 2.107 352 2HG GLU 41 2HG GLU 41 -11.646 -4.490 2.539 353 H GLU 42 H GLU 42 -11.551 -0.203 3.178 354 HA GLU 42 HA GLU 42 -13.824 1.516 3.602 355 1HB GLU 42 2HB GLU 42 -12.141 1.224 5.352 356 2HB GLU 42 1HB GLU 42 -10.913 1.913 4.299 357 1HG GLU 42 1HG GLU 42 -12.096 4.043 4.296 358 2HG GLU 42 2HG GLU 42 -13.346 3.353 5.331 359 H GLU 43 H GLU 43 -10.878 1.647 1.690 360 HA GLU 43 HA GLU 43 -11.053 4.270 0.802 361 1HB GLU 43 1HB GLU 43 -9.152 2.594 0.457 362 2HB GLU 43 2HB GLU 43 -10.065 2.021 -0.933 363 1HG GLU 43 2HG GLU 43 -9.233 4.885 -0.566 364 2HG GLU 43 1HG GLU 43 -8.265 3.690 -1.426 365 H SER 44 H SER 44 -12.392 1.299 -0.621 366 HA SER 44 HA SER 44 -13.590 2.427 -2.870 367 1HB SER 44 2HB SER 44 -13.502 -0.011 -2.485 368 2HB SER 44 1HB SER 44 -14.634 0.158 -1.144 369 HG SER 44 HG SER 44 -15.250 -0.253 -3.625 370 H ALA 45 H ALA 45 -14.507 2.300 0.476 371 HA ALA 45 HA ALA 45 -17.130 3.346 0.243 372 1HB ALA 45 1HB ALA 45 -15.207 2.766 2.392 373 2HB ALA 45 2HB ALA 45 -16.950 2.475 2.316 374 3HB ALA 45 3HB ALA 45 -16.340 4.076 2.741 375 H ALA 46 H ALA 46 -13.937 4.795 0.762 376 HA ALA 46 HA ALA 46 -14.798 7.458 1.156 377 1HB ALA 46 1HB ALA 46 -12.516 8.082 0.865 378 2HB ALA 46 2HB ALA 46 -12.163 6.620 -0.057 379 3HB ALA 46 3HB ALA 46 -12.509 6.513 1.669 380 H ALA 47 H ALA 47 -13.925 5.618 -1.731 381 HA ALA 47 HA ALA 47 -13.990 7.755 -3.566 382 1HB ALA 47 1HB ALA 47 -13.087 6.073 -4.723 383 2HB ALA 47 2HB ALA 47 -14.739 5.535 -5.023 384 3HB ALA 47 3HB ALA 47 -13.822 4.855 -3.679 385 H ALA 48 H ALA 48 -16.467 5.399 -2.604 386 HA ALA 48 HA ALA 48 -18.497 6.461 -4.292 387 1HB ALA 48 1HB ALA 48 -18.431 4.140 -3.292 388 2HB ALA 48 2HB ALA 48 -19.982 4.973 -3.200 389 3HB ALA 48 3HB ALA 48 -18.949 4.874 -1.774 390 H GLU 49 H GLU 49 -17.456 7.060 -1.012 391 HA GLU 49 HA GLU 49 -19.632 8.547 -0.078 392 1HB GLU 49 2HB GLU 49 -17.922 7.726 1.424 393 2HB GLU 49 1HB GLU 49 -16.696 8.699 0.625 394 1HG GLU 49 1HG GLU 49 -17.761 10.727 1.400 395 2HG GLU 49 2HG GLU 49 -19.049 9.785 2.152 396 H VAL 50 H VAL 50 -16.614 9.650 -1.618 397 HA VAL 50 HA VAL 50 -17.398 12.393 -1.634 398 HB VAL 50 HB VAL 50 -15.473 12.718 -3.174 399 1HG1 VAL 50 1HG2 VAL 50 -14.700 11.004 -0.827 400 2HG1 VAL 50 2HG2 VAL 50 -15.303 12.652 -0.657 401 3HG1 VAL 50 3HG2 VAL 50 -13.807 12.347 -1.538 402 1HG2 VAL 50 1HG1 VAL 50 -13.986 10.521 -3.216 403 2HG2 VAL 50 2HG1 VAL 50 -15.158 10.883 -4.484 404 3HG2 VAL 50 3HG1 VAL 50 -15.574 9.753 -3.195 405 H GLU 51 H GLU 51 -17.410 9.818 -4.065 406 HA GLU 51 HA GLU 51 -18.281 11.423 -6.219 407 1HB GLU 51 1HB GLU 51 -17.251 9.235 -6.565 408 2HB GLU 51 2HB GLU 51 -18.611 8.452 -5.775 409 1HG GLU 51 1HG GLU 51 -20.093 9.236 -7.551 410 2HG GLU 51 2HG GLU 51 -18.724 10.013 -8.346 411 H GLU 52 H GLU 52 -20.234 12.049 -6.887 412 HA GLU 52 HA GLU 52 -22.681 10.836 -6.281 413 1HB GLU 52 1HB GLU 52 -23.633 12.466 -4.697 414 2HB GLU 52 2HB GLU 52 -22.280 11.588 -3.996 415 1HG GLU 52 2HG GLU 52 -20.818 13.496 -4.414 416 2HG GLU 52 1HG GLU 52 -22.170 14.378 -5.123 417 H ARG 53 H ARG 53 -23.943 13.638 -5.976 418 HA ARG 53 HA ARG 53 -24.407 14.078 -8.723 419 1HB ARG 53 2HB ARG 53 -26.022 14.676 -6.954 420 2HB ARG 53 1HB ARG 53 -24.929 15.934 -6.392 421 1HG ARG 53 1HG ARG 53 -25.147 17.085 -8.538 422 2HG ARG 53 2HG ARG 53 -26.253 15.827 -9.095 423 1HD ARG 53 2HD ARG 53 -27.786 16.389 -7.256 424 2HD ARG 53 1HD ARG 53 -26.693 17.678 -6.756 425 HE ARG 53 HE ARG 53 -28.646 17.854 -8.761 426 1HH1 ARG 53 1HH1 ARG 53 -25.328 18.751 -8.176 427 2HH1 ARG 53 2HH1 ARG 53 -25.374 20.109 -9.249 428 1HH2 ARG 53 1HH2 ARG 53 -28.711 19.641 -10.171 429 2HH2 ARG 53 2HH2 ARG 53 -27.296 20.615 -10.381 430 H THR 54 H THR 54 -22.338 15.676 -6.354 431 HA THR 54 HA THR 54 -20.676 16.737 -8.482 432 HB THR 54 HB THR 54 -20.683 19.042 -7.544 433 HG1 THR 54 1HG THR 54 -21.932 19.542 -5.885 434 1HG2 THR 54 1HG2 THR 54 -22.580 19.784 -8.716 435 2HG2 THR 54 2HG2 THR 54 -23.485 18.314 -8.356 436 3HG2 THR 54 3HG2 THR 54 -22.143 18.265 -9.499 437 H ARG 55 H ARG 55 -18.572 16.914 -7.876 438 HA ARG 55 HA ARG 55 -17.648 15.623 -5.590 439 1HB ARG 55 2HB ARG 55 -15.456 16.388 -6.177 440 2HB ARG 55 1HB ARG 55 -16.319 16.051 -7.669 441 1HG ARG 55 2HG ARG 55 -15.941 18.791 -6.479 442 2HG ARG 55 1HG ARG 55 -14.966 18.102 -7.776 443 1HD ARG 55 1HD ARG 55 -16.941 17.935 -9.191 444 2HD ARG 55 2HD ARG 55 -17.942 18.581 -7.890 445 HE ARG 55 HE ARG 55 -15.879 20.401 -8.418 446 1HH1 ARG 55 1HH1 ARG 55 -18.743 19.114 -9.930 447 2HH1 ARG 55 2HH1 ARG 55 -19.050 20.543 -10.859 448 1HH2 ARG 55 1HH2 ARG 55 -16.277 22.285 -9.636 449 2HH2 ARG 55 2HH2 ARG 55 -17.649 22.345 -10.693 450 H LYS 56 H LYS 56 -16.958 16.288 -3.595 451 HA LYS 56 HA LYS 56 -18.099 18.725 -2.593 452 1HB LYS 56 2HB LYS 56 -16.347 16.675 -1.227 453 2HB LYS 56 1HB LYS 56 -17.201 17.983 -0.418 454 1HG LYS 56 1HG LYS 56 -19.337 17.031 -1.152 455 2HG LYS 56 2HG LYS 56 -18.469 15.708 -1.930 456 1HD LYS 56 2HD LYS 56 -18.310 16.340 1.013 457 2HD LYS 56 1HD LYS 56 -19.400 15.142 0.314 458 1HE LYS 56 2HE LYS 56 -17.470 13.998 1.140 459 2HE LYS 56 1HE LYS 56 -17.413 13.971 -0.621 460 1HZ LYS 56 1HZ LYS 56 -16.038 16.174 0.693 461 2HZ LYS 56 2HZ LYS 56 -15.595 15.282 -0.673 462 3HZ LYS 56 3HZ LYS 56 -15.343 14.640 0.871 463 H LEU 57 H LEU 57 -16.266 19.418 -4.517 464 HA LEU 57 HA LEU 57 -14.498 20.779 -4.940 465 1HB LEU 57 2HB LEU 57 -15.693 22.221 -3.348 466 2HB LEU 57 1HB LEU 57 -14.825 21.475 -2.020 467 HG LEU 57 HG LEU 57 -12.704 22.367 -2.937 468 1HD1 LEU 57 1HD1 LEU 57 -13.640 22.487 -5.304 469 2HD1 LEU 57 2HD1 LEU 57 -12.621 23.825 -4.772 470 3HD1 LEU 57 3HD1 LEU 57 -14.374 24.013 -4.812 471 1HD2 LEU 57 1HD2 LEU 57 -14.192 23.582 -1.267 472 2HD2 LEU 57 2HD2 LEU 57 -14.682 24.603 -2.619 473 3HD2 LEU 57 3HD2 LEU 57 -12.991 24.548 -2.123 474 H SER 1 1HT SER 1 -11.346 -7.426 1.497 475 HA SER 1 HA SER 1 -11.486 -9.461 0.632 476 1HB SER 1 1HB SER 1 -13.655 -8.436 0.121 477 2HB SER 1 2HB SER 1 -13.036 -7.875 -1.433 478 HG SER 1 HG SER 1 -12.681 -10.553 -1.062 479 H GLU 2 H GLU 2 -10.709 -7.215 -2.008 480 HA GLU 2 HA GLU 2 -9.623 -9.233 -3.702 481 1HB GLU 2 2HB GLU 2 -10.528 -7.084 -4.552 482 2HB GLU 2 1HB GLU 2 -9.182 -6.242 -3.795 483 1HG GLU 2 2HG GLU 2 -7.613 -7.431 -5.216 484 2HG GLU 2 1HG GLU 2 -8.940 -8.327 -5.951 485 H ALA 3 H ALA 3 -8.433 -7.352 -1.089 486 HA ALA 3 HA ALA 3 -5.636 -7.559 -1.687 487 1HB ALA 3 1HB ALA 3 -6.551 -5.791 -0.241 488 2HB ALA 3 2HB ALA 3 -5.309 -6.738 0.579 489 3HB ALA 3 3HB ALA 3 -7.012 -7.013 0.944 490 H LEU 4 H LEU 4 -8.011 -9.490 -0.241 491 HA LEU 4 HA LEU 4 -6.252 -11.247 1.186 492 1HB LEU 4 1HB LEU 4 -9.196 -11.300 0.531 493 2HB LEU 4 2HB LEU 4 -8.404 -12.486 1.552 494 HG LEU 4 HG LEU 4 -8.131 -10.972 3.311 495 1HD1 LEU 4 1HD2 LEU 4 -8.455 -8.787 1.269 496 2HD1 LEU 4 2HD2 LEU 4 -7.087 -9.104 2.336 497 3HD1 LEU 4 3HD2 LEU 4 -8.598 -8.489 3.002 498 1HD2 LEU 4 1HD1 LEU 4 -10.290 -10.925 3.781 499 2HD2 LEU 4 2HD1 LEU 4 -10.652 -11.192 2.074 500 3HD2 LEU 4 3HD1 LEU 4 -10.512 -9.548 2.698 501 H LYS 5 H LYS 5 -8.242 -11.303 -1.720 502 HA LYS 5 HA LYS 5 -7.417 -13.951 -2.480 503 1HB LYS 5 2HB LYS 5 -9.687 -13.123 -2.950 504 2HB LYS 5 1HB LYS 5 -9.007 -11.907 -4.026 505 1HG LYS 5 1HG LYS 5 -9.917 -13.913 -5.172 506 2HG LYS 5 2HG LYS 5 -8.223 -13.573 -5.538 507 1HD LYS 5 1HD LYS 5 -7.540 -15.256 -3.901 508 2HD LYS 5 2HD LYS 5 -9.234 -15.595 -3.539 509 1HE LYS 5 1HE LYS 5 -7.878 -15.982 -6.206 510 2HE LYS 5 2HE LYS 5 -8.307 -17.259 -5.069 511 1HZ LYS 5 1HZ LYS 5 -10.519 -17.069 -5.545 512 2HZ LYS 5 2HZ LYS 5 -9.866 -16.674 -7.053 513 3HZ LYS 5 3HZ LYS 5 -10.410 -15.450 -6.022 514 H ILE 6 H ILE 6 -6.357 -10.706 -3.123 515 HA ILE 6 HA ILE 6 -5.151 -10.953 -5.606 516 HB ILE 6 HB ILE 6 -5.285 -8.817 -4.379 517 1HG1 ILE 6 1HG1 ILE 6 -2.502 -9.732 -5.122 518 2HG1 ILE 6 2HG1 ILE 6 -3.663 -8.904 -6.159 519 1HG2 ILE 6 1HG2 ILE 6 -4.179 -8.345 -2.429 520 2HG2 ILE 6 2HG2 ILE 6 -2.960 -9.592 -2.690 521 3HG2 ILE 6 3HG2 ILE 6 -4.588 -10.043 -2.186 522 1HD1 ILE 6 1HD1 ILE 6 -3.461 -7.089 -4.234 523 2HD1 ILE 6 2HD1 ILE 6 -2.360 -7.142 -5.612 524 3HD1 ILE 6 3HD1 ILE 6 -1.874 -7.841 -4.063 525 H LEU 7 H LEU 7 -3.968 -11.682 -2.393 526 HA LEU 7 HA LEU 7 -1.673 -13.072 -3.541 527 1HB LEU 7 1HB LEU 7 -0.457 -12.287 -1.829 528 2HB LEU 7 2HB LEU 7 -1.802 -11.202 -1.535 529 HG LEU 7 HG LEU 7 -2.672 -13.209 -0.055 530 1HD1 LEU 7 1HD1 LEU 7 -0.089 -13.765 0.935 531 2HD1 LEU 7 2HD1 LEU 7 -0.060 -14.075 -0.804 532 3HD1 LEU 7 3HD1 LEU 7 -1.248 -14.887 0.215 533 1HD2 LEU 7 1HD2 LEU 7 -2.382 -11.169 0.985 534 2HD2 LEU 7 2HD2 LEU 7 -0.667 -11.083 0.571 535 3HD2 LEU 7 3HD2 LEU 7 -1.218 -12.192 1.828 536 H ASN 8 H ASN 8 -4.706 -13.477 -2.174 537 HA ASN 8 HA ASN 8 -5.925 -15.303 -1.572 538 1HB ASN 8 1HB ASN 8 -4.794 -16.328 -3.573 539 2HB ASN 8 2HB ASN 8 -3.564 -16.963 -2.485 540 1HD2 ASN 8 2HD2 ASN 8 -6.457 -16.917 -0.863 541 2HD2 ASN 8 1HD2 ASN 8 -6.955 -18.555 -1.155 542 H ASN 9 H ASN 9 -4.176 -13.949 0.253 543 HA ASN 9 HA ASN 9 -3.443 -14.061 2.392 544 1HB ASN 9 2HB ASN 9 -4.969 -16.673 2.394 545 2HB ASN 9 1HB ASN 9 -4.382 -15.837 3.829 546 1HD2 ASN 9 1HD2 ASN 9 -5.278 -13.478 1.690 547 2HD2 ASN 9 2HD2 ASN 9 -6.898 -13.225 2.227 548 H ILE 10 H ILE 10 -1.482 -14.474 3.171 549 HA ILE 10 HA ILE 10 0.399 -16.051 1.900 550 HB ILE 10 HB ILE 10 1.832 -15.782 3.818 551 1HG1 ILE 10 2HG1 ILE 10 0.175 -16.268 5.585 552 2HG1 ILE 10 1HG1 ILE 10 1.064 -14.783 5.906 553 1HG2 ILE 10 1HG2 ILE 10 1.962 -13.859 2.633 554 2HG2 ILE 10 2HG2 ILE 10 1.328 -13.200 4.143 555 3HG2 ILE 10 3HG2 ILE 10 0.239 -13.508 2.789 556 1HD1 ILE 10 1HD1 ILE 10 -1.120 -13.851 4.574 557 2HD1 ILE 10 2HD1 ILE 10 -0.939 -13.916 6.328 558 3HD1 ILE 10 3HD1 ILE 10 -1.785 -15.211 5.479 559 H ARG 11 H ARG 11 -1.907 -16.979 4.360 560 HA ARG 11 HA ARG 11 -0.718 -19.303 5.320 561 1HB ARG 11 2HB ARG 11 -3.041 -20.068 5.794 562 2HB ARG 11 1HB ARG 11 -2.711 -18.432 6.348 563 1HG ARG 11 1HG ARG 11 -3.844 -17.542 4.361 564 2HG ARG 11 2HG ARG 11 -4.204 -19.192 3.846 565 1HD ARG 11 2HD ARG 11 -6.121 -18.179 4.961 566 2HD ARG 11 1HD ARG 11 -5.502 -19.554 5.877 567 HE ARG 11 HE ARG 11 -4.296 -17.228 6.854 568 1HH1 ARG 11 1HH1 ARG 11 -7.437 -18.731 6.722 569 2HH1 ARG 11 2HH1 ARG 11 -7.990 -18.000 8.192 570 1HH2 ARG 11 1HH2 ARG 11 -5.016 -16.263 8.790 571 2HH2 ARG 11 2HH2 ARG 11 -6.614 -16.598 9.367 572 H THR 12 H THR 12 -2.888 -18.912 2.529 573 HA THR 12 HA THR 12 -2.468 -21.667 1.720 574 HB THR 12 HB THR 12 -4.033 -19.454 0.375 575 HG1 THR 12 1HG THR 12 -5.826 -20.609 1.252 576 1HG2 THR 12 1HG2 THR 12 -4.019 -22.424 -0.175 577 2HG2 THR 12 2HG2 THR 12 -3.285 -21.192 -1.201 578 3HG2 THR 12 3HG2 THR 12 -5.033 -21.221 -0.970 579 H LEU 13 H LEU 13 -1.568 -18.429 0.672 580 HA LEU 13 HA LEU 13 -0.431 -19.087 -1.789 581 1HB LEU 13 1HB LEU 13 -0.932 -16.814 -1.294 582 2HB LEU 13 2HB LEU 13 0.113 -16.824 0.110 583 HG LEU 13 HG LEU 13 0.906 -15.629 -2.040 584 1HD1 LEU 13 1HD2 LEU 13 2.262 -16.093 -0.011 585 2HD1 LEU 13 2HD2 LEU 13 3.189 -16.059 -1.511 586 3HD1 LEU 13 3HD2 LEU 13 2.782 -17.605 -0.762 587 1HD2 LEU 13 1HD1 LEU 13 1.855 -18.372 -2.797 588 2HD2 LEU 13 2HD1 LEU 13 1.892 -16.881 -3.742 589 3HD2 LEU 13 3HD1 LEU 13 0.356 -17.693 -3.438 590 H ARG 14 H ARG 14 1.166 -18.657 1.357 591 HA ARG 14 HA ARG 14 3.762 -19.098 0.657 592 1HB ARG 14 2HB ARG 14 2.985 -18.476 2.902 593 2HB ARG 14 1HB ARG 14 2.348 -20.097 3.129 594 1HG ARG 14 2HG ARG 14 4.596 -21.014 3.003 595 2HG ARG 14 1HG ARG 14 5.245 -19.391 2.747 596 1HD ARG 14 2HD ARG 14 4.280 -18.708 4.912 597 2HD ARG 14 1HD ARG 14 3.752 -20.368 5.171 598 HE ARG 14 HE ARG 14 6.310 -19.346 5.707 599 1HH1 ARG 14 1HH1 ARG 14 4.793 -22.140 4.279 600 2HH1 ARG 14 2HH1 ARG 14 6.109 -23.203 4.653 601 1HH2 ARG 14 1HH2 ARG 14 8.044 -20.736 6.198 602 2HH2 ARG 14 2HH2 ARG 14 7.956 -22.405 5.744 603 H ALA 15 H ALA 15 1.224 -21.492 1.107 604 HA ALA 15 HA ALA 15 3.043 -23.721 0.840 605 1HB ALA 15 1HB ALA 15 0.044 -23.795 0.781 606 2HB ALA 15 2HB ALA 15 0.995 -23.754 2.266 607 3HB ALA 15 3HB ALA 15 1.153 -25.113 1.154 608 H GLN 16 H GLN 16 0.411 -22.344 -1.132 609 HA GLN 16 HA GLN 16 0.607 -24.178 -3.253 610 1HB GLN 16 2HB GLN 16 -0.524 -22.423 -4.610 611 2HB GLN 16 1HB GLN 16 -1.312 -22.701 -3.060 612 1HG GLN 16 2HG GLN 16 -0.180 -20.747 -2.141 613 2HG GLN 16 1HG GLN 16 0.591 -20.463 -3.699 614 1HE2 GLN 16 1HE2 GLN 16 -0.256 -18.641 -4.401 615 2HE2 GLN 16 2HE2 GLN 16 -1.953 -18.309 -4.556 616 H ALA 17 H ALA 17 2.456 -21.427 -2.375 617 HA ALA 17 HA ALA 17 3.829 -21.227 -4.910 618 1HB ALA 17 1HB ALA 17 3.728 -19.133 -4.052 619 2HB ALA 17 2HB ALA 17 5.268 -19.638 -3.350 620 3HB ALA 17 3HB ALA 17 3.790 -19.697 -2.381 621 H ARG 18 H ARG 18 4.197 -22.790 -1.850 622 HA ARG 18 HA ARG 18 6.886 -23.149 -1.526 623 1HB ARG 18 1HB ARG 18 4.638 -25.128 -1.215 624 2HB ARG 18 2HB ARG 18 6.298 -25.580 -0.864 625 1HG ARG 18 1HG ARG 18 4.866 -23.282 0.438 626 2HG ARG 18 2HG ARG 18 4.970 -24.903 1.118 627 1HD ARG 18 1HD ARG 18 7.393 -23.277 0.387 628 2HD ARG 18 2HD ARG 18 6.646 -23.219 1.982 629 HE ARG 18 HE ARG 18 7.520 -25.292 2.446 630 1HH1 ARG 18 1HH1 ARG 18 8.006 -24.572 -0.932 631 2HH1 ARG 18 2HH1 ARG 18 8.973 -25.978 -1.220 632 1HH2 ARG 18 1HH2 ARG 18 8.798 -27.133 2.070 633 2HH2 ARG 18 2HH2 ARG 18 9.424 -27.431 0.483 634 H GLU 19 H GLU 19 4.850 -24.496 -4.012 635 HA GLU 19 HA GLU 19 6.893 -26.271 -5.018 636 1HB GLU 19 1HB GLU 19 4.261 -25.439 -6.248 637 2HB GLU 19 2HB GLU 19 5.286 -26.756 -6.803 638 1HG GLU 19 1HG GLU 19 4.988 -27.847 -4.604 639 2HG GLU 19 2HG GLU 19 3.849 -26.575 -4.169 640 H SER 20 H SER 20 7.496 -23.371 -4.881 641 HA SER 20 HA SER 20 8.760 -23.158 -7.427 642 1HB SER 20 2HB SER 20 7.629 -21.125 -8.224 643 2HB SER 20 1HB SER 20 6.498 -22.469 -8.095 644 HG SER 20 HG SER 20 5.384 -21.086 -6.965 645 H THR 21 H THR 21 8.941 -20.282 -7.427 646 HA THR 21 HA THR 21 10.761 -19.937 -5.149 647 HB THR 21 HB THR 21 10.615 -18.332 -7.714 648 HG1 THR 21 1HG THR 21 12.682 -19.568 -8.037 649 1HG2 THR 21 1HG2 THR 21 12.759 -17.431 -7.072 650 2HG2 THR 21 2HG2 THR 21 12.807 -18.460 -5.640 651 3HG2 THR 21 3HG2 THR 21 11.618 -17.163 -5.754 652 H LEU 22 H LEU 22 10.909 -17.639 -4.286 653 HA LEU 22 HA LEU 22 8.435 -16.827 -3.310 654 1HB LEU 22 2HB LEU 22 9.622 -15.479 -1.982 655 2HB LEU 22 1HB LEU 22 11.029 -16.255 -2.686 656 HG LEU 22 HG LEU 22 9.825 -13.705 -3.743 657 1HD1 LEU 22 1HD1 LEU 22 11.741 -14.217 -1.549 658 2HD1 LEU 22 2HD1 LEU 22 10.573 -12.910 -1.757 659 3HD1 LEU 22 3HD1 LEU 22 12.099 -12.880 -2.644 660 1HD2 LEU 22 1HD2 LEU 22 11.505 -13.589 -5.235 661 2HD2 LEU 22 2HD2 LEU 22 11.426 -15.346 -5.085 662 3HD2 LEU 22 3HD2 LEU 22 12.646 -14.438 -4.192 663 H GLU 23 H GLU 23 9.841 -16.306 -6.345 664 HA GLU 23 HA GLU 23 9.183 -13.828 -7.189 665 1HB GLU 23 2HB GLU 23 10.112 -15.583 -8.652 666 2HB GLU 23 1HB GLU 23 8.548 -16.381 -8.686 667 1HG GLU 23 2HG GLU 23 7.572 -14.434 -9.786 668 2HG GLU 23 1HG GLU 23 9.141 -13.631 -9.753 669 H THR 24 H THR 24 6.980 -16.309 -6.182 670 HA THR 24 HA THR 24 4.586 -15.490 -7.318 671 HB THR 24 HB THR 24 4.685 -17.528 -6.019 672 HG1 THR 24 1HG THR 24 2.704 -17.296 -5.171 673 1HG2 THR 24 1HG2 THR 24 6.235 -17.092 -4.305 674 2HG2 THR 24 2HG2 THR 24 4.694 -17.294 -3.472 675 3HG2 THR 24 3HG2 THR 24 5.344 -15.677 -3.744 676 H LEU 25 H LEU 25 6.283 -14.237 -4.471 677 HA LEU 25 HA LEU 25 4.252 -12.392 -3.777 678 1HB LEU 25 2HB LEU 25 6.146 -11.217 -2.518 679 2HB LEU 25 1HB LEU 25 5.663 -12.811 -1.999 680 HG LEU 25 HG LEU 25 7.647 -13.753 -3.167 681 1HD1 LEU 25 1HD2 LEU 25 9.262 -11.448 -3.313 682 2HD1 LEU 25 2HD2 LEU 25 7.808 -11.123 -4.254 683 3HD1 LEU 25 3HD2 LEU 25 8.796 -12.543 -4.616 684 1HD2 LEU 25 1HD1 LEU 25 7.658 -11.969 -0.849 685 2HD2 LEU 25 2HD1 LEU 25 9.247 -12.275 -1.547 686 3HD2 LEU 25 3HD1 LEU 25 8.243 -13.624 -1.016 687 H GLU 26 H GLU 26 7.178 -12.189 -5.759 688 HA GLU 26 HA GLU 26 7.047 -9.442 -6.273 689 1HB GLU 26 2HB GLU 26 9.014 -10.623 -6.927 690 2HB GLU 26 1HB GLU 26 8.095 -11.735 -7.939 691 1HG GLU 26 2HG GLU 26 7.527 -9.843 -9.426 692 2HG GLU 26 1HG GLU 26 8.551 -8.801 -8.439 693 H GLU 27 H GLU 27 5.143 -12.103 -7.267 694 HA GLU 27 HA GLU 27 3.900 -10.722 -9.490 695 1HB GLU 27 1HB GLU 27 4.145 -13.097 -9.711 696 2HB GLU 27 2HB GLU 27 3.368 -13.379 -8.160 697 1HG GLU 27 1HG GLU 27 1.256 -12.596 -9.039 698 2HG GLU 27 2HG GLU 27 2.017 -12.215 -10.584 699 H MET 28 H MET 28 2.790 -12.012 -6.361 700 HA MET 28 HA MET 28 0.376 -10.413 -6.510 701 1HB MET 28 2HB MET 28 1.289 -12.388 -4.417 702 2HB MET 28 1HB MET 28 -0.301 -11.637 -4.491 703 1HG MET 28 2HG MET 28 -0.747 -12.726 -6.609 704 2HG MET 28 1HG MET 28 0.870 -13.429 -6.608 705 1HE MET 28 1HE MET 28 -1.069 -15.055 -7.336 706 2HE MET 28 2HE MET 28 -2.032 -16.018 -6.214 707 3HE MET 28 3HE MET 28 -0.339 -16.422 -6.494 708 H LEU 29 H LEU 29 3.184 -10.715 -4.377 709 HA LEU 29 HA LEU 29 2.412 -8.743 -2.491 710 1HB LEU 29 2HB LEU 29 4.054 -10.359 -1.910 711 2HB LEU 29 1HB LEU 29 5.085 -9.925 -3.253 712 HG LEU 29 HG LEU 29 5.484 -7.714 -2.128 713 1HD1 LEU 29 1HD2 LEU 29 4.545 -8.827 0.436 714 2HD1 LEU 29 2HD2 LEU 29 3.299 -8.247 -0.668 715 3HD1 LEU 29 3HD2 LEU 29 4.580 -7.159 -0.134 716 1HD2 LEU 29 1HD1 LEU 29 7.030 -8.609 -0.483 717 2HD2 LEU 29 2HD1 LEU 29 7.049 -9.612 -1.934 718 3HD2 LEU 29 3HD1 LEU 29 6.184 -10.157 -0.497 719 H GLU 30 H GLU 30 3.730 -8.492 -5.675 720 HA GLU 30 HA GLU 30 4.743 -5.810 -5.376 721 1HB GLU 30 1HB GLU 30 5.755 -7.172 -7.067 722 2HB GLU 30 2HB GLU 30 4.196 -7.525 -7.799 723 1HG GLU 30 2HG GLU 30 3.977 -5.157 -8.424 724 2HG GLU 30 1HG GLU 30 5.575 -4.850 -7.745 725 H LYS 31 H LYS 31 1.755 -7.307 -6.422 726 HA LYS 31 HA LYS 31 0.643 -4.786 -7.348 727 1HB LYS 31 1HB LYS 31 -0.889 -7.349 -6.971 728 2HB LYS 31 2HB LYS 31 -1.197 -6.042 -8.112 729 1HG LYS 31 2HG LYS 31 1.123 -7.953 -8.185 730 2HG LYS 31 1HG LYS 31 -0.296 -8.002 -9.236 731 1HD LYS 31 1HD LYS 31 0.303 -5.891 -10.225 732 2HD LYS 31 2HD LYS 31 1.622 -5.678 -9.071 733 1HE LYS 31 1HE LYS 31 2.466 -6.414 -11.234 734 2HE LYS 31 2HE LYS 31 2.757 -7.630 -9.990 735 1HZ LYS 31 1HZ LYS 31 0.345 -7.792 -11.675 736 2HZ LYS 31 2HZ LYS 31 1.168 -9.029 -10.866 737 3HZ LYS 31 3HZ LYS 31 1.827 -8.352 -12.268 738 H LEU 32 H LEU 32 0.627 -6.875 -4.632 739 HA LEU 32 HA LEU 32 -1.616 -5.842 -3.271 740 1HB LEU 32 2HB LEU 32 -0.539 -8.010 -2.805 741 2HB LEU 32 1HB LEU 32 0.861 -7.160 -2.179 742 HG LEU 32 HG LEU 32 -0.523 -6.209 -0.387 743 1HD1 LEU 32 1HD2 LEU 32 -2.626 -6.526 -2.006 744 2HD1 LEU 32 2HD2 LEU 32 -2.775 -6.381 -0.255 745 3HD1 LEU 32 3HD2 LEU 32 -2.810 -7.972 -1.013 746 1HD2 LEU 32 1HD1 LEU 32 0.592 -8.416 -0.129 747 2HD2 LEU 32 2HD1 LEU 32 -0.934 -9.182 -0.570 748 3HD2 LEU 32 3HD1 LEU 32 -0.830 -8.202 0.891 749 H GLU 33 H GLU 33 1.634 -4.763 -3.734 750 HA GLU 33 HA GLU 33 1.494 -2.861 -1.530 751 1HB GLU 33 1HB GLU 33 3.715 -2.183 -2.131 752 2HB GLU 33 2HB GLU 33 3.657 -3.938 -2.156 753 1HG GLU 33 1HG GLU 33 3.633 -3.988 -4.529 754 2HG GLU 33 2HG GLU 33 3.373 -2.247 -4.624 755 H VAL 34 H VAL 34 1.269 -2.922 -5.055 756 HA VAL 34 HA VAL 34 1.134 -0.108 -5.376 757 HB VAL 34 HB VAL 34 0.350 -0.479 -7.618 758 1HG1 VAL 34 1HG1 VAL 34 2.227 -2.757 -7.338 759 2HG1 VAL 34 2HG1 VAL 34 2.754 -1.175 -6.765 760 3HG1 VAL 34 3HG1 VAL 34 2.263 -1.386 -8.445 761 1HG2 VAL 34 1HG2 VAL 34 -1.031 -2.611 -6.631 762 2HG2 VAL 34 2HG2 VAL 34 0.263 -3.396 -7.537 763 3HG2 VAL 34 3HG2 VAL 34 -0.806 -2.246 -8.341 764 H VAL 35 H VAL 35 -1.265 -2.617 -4.733 765 HA VAL 35 HA VAL 35 -3.584 -1.135 -5.254 766 HB VAL 35 HB VAL 35 -4.741 -2.513 -3.555 767 1HG1 VAL 35 1HG2 VAL 35 -3.120 -3.671 -5.720 768 2HG1 VAL 35 2HG2 VAL 35 -4.862 -3.731 -5.438 769 3HG1 VAL 35 3HG2 VAL 35 -3.786 -4.812 -4.546 770 1HG2 VAL 35 1HG1 VAL 35 -2.612 -2.572 -2.089 771 2HG2 VAL 35 2HG1 VAL 35 -2.211 -4.000 -3.041 772 3HG2 VAL 35 3HG1 VAL 35 -3.700 -3.959 -2.100 773 H VAL 36 H VAL 36 -1.487 -1.298 -2.420 774 HA VAL 36 HA VAL 36 -3.048 0.752 -1.088 775 HB VAL 36 HB VAL 36 -0.709 0.510 0.366 776 1HG1 VAL 36 1HG2 VAL 36 -2.365 0.513 1.833 777 2HG1 VAL 36 2HG2 VAL 36 -2.565 -1.211 1.526 778 3HG1 VAL 36 3HG2 VAL 36 -3.516 -0.033 0.614 779 1HG2 VAL 36 1HG1 VAL 36 -0.214 -1.500 -1.104 780 2HG2 VAL 36 2HG1 VAL 36 -1.564 -2.288 -0.289 781 3HG2 VAL 36 3HG1 VAL 36 -0.161 -1.752 0.642 782 H ASN 37 H ASN 37 -0.209 0.508 -3.073 783 HA ASN 37 HA ASN 37 1.167 2.805 -2.412 784 1HB ASN 37 1HB ASN 37 1.951 1.313 -4.187 785 2HB ASN 37 2HB ASN 37 0.559 1.734 -5.186 786 1HD2 ASN 37 1HD2 ASN 37 1.055 3.035 -6.766 787 2HD2 ASN 37 2HD2 ASN 37 2.240 4.303 -6.722 788 H GLU 38 H GLU 38 -1.805 2.372 -4.203 789 HA GLU 38 HA GLU 38 -2.130 5.242 -4.564 790 1HB GLU 38 2HB GLU 38 -4.281 4.586 -5.670 791 2HB GLU 38 1HB GLU 38 -2.833 3.943 -6.431 792 1HG GLU 38 2HG GLU 38 -3.217 1.791 -5.349 793 2HG GLU 38 1HG GLU 38 -4.668 2.437 -4.585 794 H ARG 39 H ARG 39 -3.689 2.565 -2.806 795 HA ARG 39 HA ARG 39 -5.613 4.248 -1.525 796 1HB ARG 39 2HB ARG 39 -4.722 1.415 -1.126 797 2HB ARG 39 1HB ARG 39 -5.712 2.199 0.083 798 1HG ARG 39 1HG ARG 39 -7.147 0.969 -1.319 799 2HG ARG 39 2HG ARG 39 -7.389 2.679 -1.678 800 1HD ARG 39 1HD ARG 39 -5.538 2.193 -3.491 801 2HD ARG 39 2HD ARG 39 -6.130 0.540 -3.313 802 HE ARG 39 HE ARG 39 -7.917 1.152 -4.575 803 1HH1 ARG 39 1HH1 ARG 39 -6.705 3.985 -2.948 804 2HH1 ARG 39 2HH1 ARG 39 -7.858 5.054 -3.674 805 1HH2 ARG 39 1HH2 ARG 39 -9.441 2.555 -5.539 806 2HH2 ARG 39 2HH2 ARG 39 -9.413 4.241 -5.145 807 H ARG 40 H ARG 40 -2.754 2.545 -0.270 808 HA ARG 40 HA ARG 40 -2.719 3.541 2.294 809 1HB ARG 40 2HB ARG 40 -1.185 1.811 1.532 810 2HB ARG 40 1HB ARG 40 -0.359 2.956 0.488 811 1HG ARG 40 2HG ARG 40 0.831 2.347 2.605 812 2HG ARG 40 1HG ARG 40 0.611 4.079 2.324 813 1HD ARG 40 1HD ARG 40 0.151 3.514 4.646 814 2HD ARG 40 2HD ARG 40 -1.314 4.076 3.843 815 HE ARG 40 HE ARG 40 -1.234 1.291 3.653 816 1HH1 ARG 40 1HH1 ARG 40 -1.550 3.763 6.088 817 2HH1 ARG 40 2HH1 ARG 40 -2.498 2.777 7.151 818 1HH2 ARG 40 1HH2 ARG 40 -2.484 -0.015 5.046 819 2HH2 ARG 40 2HH2 ARG 40 -3.028 0.630 6.559 820 H GLU 41 H GLU 41 -1.766 5.166 -0.676 821 HA GLU 41 HA GLU 41 -0.635 7.430 0.710 822 1HB GLU 41 1HB GLU 41 0.362 6.703 -1.340 823 2HB GLU 41 2HB GLU 41 -1.174 6.809 -2.184 824 1HG GLU 41 1HG GLU 41 0.132 8.642 -2.820 825 2HG GLU 41 2HG GLU 41 -1.151 9.253 -1.786 826 H GLU 42 H GLU 42 -3.556 6.821 -1.265 827 HA GLU 42 HA GLU 42 -4.487 9.528 -0.962 828 1HB GLU 42 1HB GLU 42 -5.830 7.078 -2.107 829 2HB GLU 42 2HB GLU 42 -6.517 8.695 -2.142 830 1HG GLU 42 2HG GLU 42 -4.619 9.471 -3.474 831 2HG GLU 42 1HG GLU 42 -3.941 7.843 -3.446 832 H GLU 43 H GLU 43 -5.286 6.418 0.431 833 HA GLU 43 HA GLU 43 -7.605 7.146 1.789 834 1HB GLU 43 1HB GLU 43 -5.626 4.963 2.011 835 2HB GLU 43 2HB GLU 43 -6.663 5.239 3.410 836 1HG GLU 43 2HG GLU 43 -7.607 4.768 0.592 837 2HG GLU 43 1HG GLU 43 -7.590 3.570 1.886 838 H SER 44 H SER 44 -4.213 7.198 2.848 839 HA SER 44 HA SER 44 -4.637 8.077 5.466 840 1HB SER 44 2HB SER 44 -2.411 7.405 4.628 841 2HB SER 44 1HB SER 44 -2.371 8.827 3.586 842 HG SER 44 HG SER 44 -2.896 9.477 6.168 843 H ALA 45 H ALA 45 -4.692 9.659 2.391 844 HA ALA 45 HA ALA 45 -4.826 12.351 3.315 845 1HB ALA 45 1HB ALA 45 -5.059 10.916 0.752 846 2HB ALA 45 2HB ALA 45 -4.214 12.418 1.144 847 3HB ALA 45 3HB ALA 45 -5.953 12.437 0.855 848 H ALA 46 H ALA 46 -7.238 9.942 2.291 849 HA ALA 46 HA ALA 46 -9.511 11.587 2.508 850 1HB ALA 46 1HB ALA 46 -10.797 9.518 2.535 851 2HB ALA 46 2HB ALA 46 -9.337 8.593 2.886 852 3HB ALA 46 3HB ALA 46 -9.506 9.419 1.338 853 H ALA 47 H ALA 47 -7.794 9.598 4.857 854 HA ALA 47 HA ALA 47 -9.654 9.732 6.953 855 1HB ALA 47 1HB ALA 47 -8.148 8.428 7.938 856 2HB ALA 47 2HB ALA 47 -6.983 9.752 7.986 857 3HB ALA 47 3HB ALA 47 -7.063 8.697 6.574 858 H ALA 48 H ALA 48 -6.881 11.800 6.161 859 HA ALA 48 HA ALA 48 -7.251 13.604 8.323 860 1HB ALA 48 1HB ALA 48 -5.205 13.212 6.712 861 2HB ALA 48 2HB ALA 48 -5.486 14.786 7.456 862 3HB ALA 48 3HB ALA 48 -5.973 14.501 5.785 863 H GLU 49 H GLU 49 -8.452 13.418 5.049 864 HA GLU 49 HA GLU 49 -9.524 15.992 4.792 865 1HB GLU 49 2HB GLU 49 -9.257 14.512 2.886 866 2HB GLU 49 1HB GLU 49 -10.407 13.373 3.570 867 1HG GLU 49 2HG GLU 49 -12.192 15.000 3.328 868 2HG GLU 49 1HG GLU 49 -11.047 16.176 2.683 869 H VAL 50 H VAL 50 -10.926 13.001 6.078 870 HA VAL 50 HA VAL 50 -13.529 14.005 6.492 871 HB VAL 50 HB VAL 50 -12.107 11.783 7.969 872 1HG1 VAL 50 1HG2 VAL 50 -14.990 11.572 7.706 873 2HG1 VAL 50 2HG2 VAL 50 -14.504 13.001 8.620 874 3HG1 VAL 50 3HG2 VAL 50 -13.970 11.401 9.136 875 1HG2 VAL 50 1HG1 VAL 50 -12.531 11.792 5.348 876 2HG2 VAL 50 2HG1 VAL 50 -14.135 11.272 5.864 877 3HG2 VAL 50 3HG1 VAL 50 -12.713 10.333 6.322 878 H GLU 51 H GLU 51 -10.809 13.614 8.768 879 HA GLU 51 HA GLU 51 -12.142 14.811 10.955 880 1HB GLU 51 1HB GLU 51 -9.919 14.924 12.000 881 2HB GLU 51 2HB GLU 51 -10.226 13.347 11.287 882 1HG GLU 51 1HG GLU 51 -8.870 13.953 9.352 883 2HG GLU 51 2HG GLU 51 -8.565 15.537 10.063 884 H GLU 52 H GLU 52 -12.253 16.879 11.662 885 HA GLU 52 HA GLU 52 -10.582 18.988 10.812 886 1HB GLU 52 2HB GLU 52 -11.753 18.711 8.684 887 2HB GLU 52 1HB GLU 52 -13.303 18.865 9.499 888 1HG GLU 52 2HG GLU 52 -12.746 21.160 10.124 889 2HG GLU 52 1HG GLU 52 -11.196 21.005 9.298 890 H ARG 53 H ARG 53 -13.830 18.115 11.903 891 HA ARG 53 HA ARG 53 -13.563 19.539 14.342 892 1HB ARG 53 2HB ARG 53 -13.928 21.489 12.927 893 2HB ARG 53 1HB ARG 53 -15.371 20.754 12.244 894 1HG ARG 53 2HG ARG 53 -16.456 20.839 14.430 895 2HG ARG 53 1HG ARG 53 -15.005 21.570 15.120 896 1HD ARG 53 2HD ARG 53 -15.253 23.489 13.640 897 2HD ARG 53 1HD ARG 53 -16.678 22.755 12.907 898 HE ARG 53 HE ARG 53 -17.880 23.648 14.612 899 1HH1 ARG 53 1HH1 ARG 53 -14.630 23.122 15.760 900 2HH1 ARG 53 2HH1 ARG 53 -14.948 23.760 17.337 901 1HH2 ARG 53 1HH2 ARG 53 -18.304 24.490 16.686 902 2HH2 ARG 53 2HH2 ARG 53 -17.036 24.537 17.864 903 H THR 54 H THR 54 -15.801 18.227 11.945 904 HA THR 54 HA THR 54 -17.032 16.578 14.004 905 HB THR 54 HB THR 54 -19.328 17.159 13.271 906 HG1 THR 54 1HG THR 54 -19.553 19.140 12.063 907 1HG2 THR 54 1HG2 THR 54 -19.557 18.949 14.707 908 2HG2 THR 54 2HG2 THR 54 -18.091 19.738 14.130 909 3HG2 THR 54 3HG2 THR 54 -17.977 18.332 15.190 910 H ARG 55 H ARG 55 -17.434 14.587 13.251 911 HA ARG 55 HA ARG 55 -16.680 13.869 10.634 912 1HB ARG 55 2HB ARG 55 -17.957 11.659 11.358 913 2HB ARG 55 1HB ARG 55 -16.373 12.077 11.987 914 1HG ARG 55 2HG ARG 55 -17.762 11.284 13.769 915 2HG ARG 55 1HG ARG 55 -17.439 13.000 14.004 916 1HD ARG 55 2HD ARG 55 -19.928 12.116 12.607 917 2HD ARG 55 1HD ARG 55 -19.837 12.076 14.367 918 HE ARG 55 HE ARG 55 -19.010 14.602 13.470 919 1HH1 ARG 55 1HH1 ARG 55 -21.882 12.641 13.678 920 2HH1 ARG 55 2HH1 ARG 55 -22.954 13.995 13.796 921 1HH2 ARG 55 1HH2 ARG 55 -20.418 16.392 13.626 922 2HH2 ARG 55 2HH2 ARG 55 -22.122 16.126 13.766 923 H LYS 56 H LYS 56 -17.764 13.553 8.801 924 HA LYS 56 HA LYS 56 -20.352 14.689 8.506 925 1HB LYS 56 2HB LYS 56 -18.822 12.963 6.553 926 2HB LYS 56 1HB LYS 56 -20.180 14.012 6.172 927 1HG LYS 56 2HG LYS 56 -18.863 15.966 6.780 928 2HG LYS 56 1HG LYS 56 -17.499 14.927 7.197 929 1HD LYS 56 2HD LYS 56 -18.758 15.140 4.463 930 2HD LYS 56 1HD LYS 56 -17.263 15.931 4.961 931 1HE LYS 56 2HE LYS 56 -16.250 13.746 5.388 932 2HE LYS 56 1HE LYS 56 -17.746 12.954 4.894 933 1HZ LYS 56 1HZ LYS 56 -17.366 13.382 2.715 934 2HZ LYS 56 2HZ LYS 56 -15.755 13.327 3.233 935 3HZ LYS 56 3HZ LYS 56 -16.520 14.818 3.009 936 H LEU 57 H LEU 57 -22.320 13.722 8.118 937 HA LEU 57 HA LEU 57 -22.932 11.369 9.458 938 1HB LEU 57 2HB LEU 57 -24.388 12.815 7.257 939 2HB LEU 57 1HB LEU 57 -25.061 11.423 8.080 940 HG LEU 57 HG LEU 57 -24.914 12.685 10.227 941 1HD1 LEU 57 1HD1 LEU 57 -23.516 14.562 8.521 942 2HD1 LEU 57 2HD1 LEU 57 -23.583 14.466 10.280 943 3HD1 LEU 57 3HD1 LEU 57 -24.846 15.321 9.395 944 1HD2 LEU 57 1HD2 LEU 57 -26.519 14.040 8.068 945 2HD2 LEU 57 2HD2 LEU 57 -26.843 14.084 9.801 946 3HD2 LEU 57 3HD2 LEU 57 -26.986 12.566 8.915 Start of MODEL 14 1 H SER 1 1HT SER 1 6.720 3.889 -0.718 2 HA SER 1 HA SER 1 6.418 6.128 1.006 3 1HB SER 1 2HB SER 1 3.967 6.018 1.208 4 2HB SER 1 1HB SER 1 4.443 6.524 -0.412 5 HG SER 1 HG SER 1 4.032 3.800 0.086 6 H GLU 2 H GLU 2 4.014 4.454 2.095 7 HA GLU 2 HA GLU 2 5.660 2.768 3.755 8 1HB GLU 2 1HB GLU 2 3.851 4.084 4.746 9 2HB GLU 2 2HB GLU 2 2.674 3.224 3.762 10 1HG GLU 2 1HG GLU 2 3.191 1.151 4.901 11 2HG GLU 2 2HG GLU 2 4.441 1.960 5.846 12 H ALA 3 H ALA 3 3.534 2.354 1.037 13 HA ALA 3 HA ALA 3 3.189 -0.493 1.432 14 1HB ALA 3 1HB ALA 3 2.608 1.032 -1.093 15 2HB ALA 3 2HB ALA 3 1.522 1.054 0.297 16 3HB ALA 3 3HB ALA 3 1.875 -0.466 -0.525 17 H LEU 4 H LEU 4 5.332 1.621 -0.216 18 HA LEU 4 HA LEU 4 6.504 -0.417 -1.871 19 1HB LEU 4 2HB LEU 4 7.323 2.422 -1.264 20 2HB LEU 4 1HB LEU 4 8.064 1.405 -2.491 21 HG LEU 4 HG LEU 4 6.597 2.766 -3.702 22 1HD1 LEU 4 1HD1 LEU 4 5.227 0.179 -3.038 23 2HD1 LEU 4 2HD1 LEU 4 6.264 0.539 -4.420 24 3HD1 LEU 4 3HD1 LEU 4 4.660 1.266 -4.306 25 1HD2 LEU 4 1HD2 LEU 4 4.140 2.284 -2.166 26 2HD2 LEU 4 2HD2 LEU 4 4.747 3.765 -2.908 27 3HD2 LEU 4 3HD2 LEU 4 5.358 3.251 -1.336 28 H LYS 5 H LYS 5 7.086 1.219 1.118 29 HA LYS 5 HA LYS 5 9.683 0.022 1.545 30 1HB LYS 5 1HB LYS 5 9.141 2.356 2.242 31 2HB LYS 5 2HB LYS 5 8.016 1.702 3.423 32 1HG LYS 5 2HG LYS 5 10.902 0.908 3.424 33 2HG LYS 5 1HG LYS 5 10.347 2.386 4.211 34 1HD LYS 5 1HD LYS 5 8.809 1.081 5.585 35 2HD LYS 5 2HD LYS 5 9.347 -0.397 4.787 36 1HE LYS 5 1HE LYS 5 11.621 -0.012 5.624 37 2HE LYS 5 2HE LYS 5 11.066 1.449 6.439 38 1HZ LYS 5 1HZ LYS 5 10.937 -0.048 8.130 39 2HZ LYS 5 2HZ LYS 5 10.579 -1.356 7.120 40 3HZ LYS 5 3HZ LYS 5 9.378 -0.226 7.496 41 H ILE 6 H ILE 6 6.356 -0.553 2.441 42 HA ILE 6 HA ILE 6 6.602 -2.060 4.742 43 HB ILE 6 HB ILE 6 4.425 -1.422 3.693 44 1HG1 ILE 6 1HG1 ILE 6 4.895 -4.349 4.296 45 2HG1 ILE 6 2HG1 ILE 6 4.327 -3.101 5.406 46 1HG2 ILE 6 1HG2 ILE 6 3.690 -2.202 1.715 47 2HG2 ILE 6 2HG2 ILE 6 4.467 -3.773 1.916 48 3HG2 ILE 6 3HG2 ILE 6 5.416 -2.379 1.402 49 1HD1 ILE 6 1HD1 ILE 6 2.867 -4.547 3.255 50 2HD1 ILE 6 2HD1 ILE 6 2.364 -2.914 3.698 51 3HD1 ILE 6 3HD1 ILE 6 2.378 -4.192 4.915 52 H LEU 7 H LEU 7 6.817 -3.022 1.367 53 HA LEU 7 HA LEU 7 7.903 -5.601 2.188 54 1HB LEU 7 2HB LEU 7 6.801 -6.531 0.465 55 2HB LEU 7 1HB LEU 7 5.878 -5.039 0.457 56 HG LEU 7 HG LEU 7 7.813 -4.277 -1.198 57 1HD1 LEU 7 1HD1 LEU 7 9.162 -5.904 -1.872 58 2HD1 LEU 7 2HD1 LEU 7 7.766 -6.769 -2.523 59 3HD1 LEU 7 3HD1 LEU 7 8.300 -7.068 -0.867 60 1HD2 LEU 7 1HD2 LEU 7 6.271 -5.482 -3.004 61 2HD2 LEU 7 2HD2 LEU 7 5.741 -4.069 -2.089 62 3HD2 LEU 7 3HD2 LEU 7 5.240 -5.685 -1.587 63 H ASN 8 H ASN 8 8.776 -2.576 1.227 64 HA ASN 8 HA ASN 8 10.701 -1.609 0.500 65 1HB ASN 8 2HB ASN 8 11.592 -3.289 2.252 66 2HB ASN 8 1HB ASN 8 12.106 -4.250 0.866 67 1HD2 ASN 8 1HD2 ASN 8 13.143 -2.112 3.066 68 2HD2 ASN 8 2HD2 ASN 8 14.445 -1.370 2.185 69 H ASN 9 H ASN 9 8.938 -2.923 -1.385 70 HA ASN 9 HA ASN 9 8.805 -3.348 -3.605 71 1HB ASN 9 1HB ASN 9 11.665 -2.368 -3.607 72 2HB ASN 9 2HB ASN 9 10.683 -2.627 -5.047 73 1HD2 ASN 9 1HD2 ASN 9 8.605 -1.546 -2.722 74 2HD2 ASN 9 2HD2 ASN 9 8.656 0.142 -3.074 75 H ILE 10 H ILE 10 8.803 -5.187 -4.682 76 HA ILE 10 HA ILE 10 10.013 -7.521 -3.763 77 HB ILE 10 HB ILE 10 9.284 -8.580 -5.824 78 1HG1 ILE 10 1HG1 ILE 10 9.877 -6.710 -7.363 79 2HG1 ILE 10 2HG1 ILE 10 8.258 -7.345 -7.632 80 1HG2 ILE 10 1HG2 ILE 10 7.467 -8.620 -4.518 81 2HG2 ILE 10 2HG2 ILE 10 6.830 -7.444 -5.672 82 3HG2 ILE 10 3HG2 ILE 10 7.555 -6.893 -4.159 83 1HD1 ILE 10 1HD1 ILE 10 9.042 -4.753 -6.349 84 2HD1 ILE 10 2HD1 ILE 10 7.415 -5.426 -6.223 85 3HD1 ILE 10 3HD1 ILE 10 8.081 -5.015 -7.804 86 H ARG 11 H ARG 11 11.291 -5.093 -5.898 87 HA ARG 11 HA ARG 11 13.109 -6.595 -7.372 88 1HB ARG 11 2HB ARG 11 14.454 -4.463 -7.489 89 2HB ARG 11 1HB ARG 11 12.776 -4.339 -7.997 90 1HG ARG 11 2HG ARG 11 12.169 -3.304 -5.905 91 2HG ARG 11 1HG ARG 11 13.808 -3.529 -5.288 92 1HD ARG 11 1HD ARG 11 13.367 -1.229 -6.091 93 2HD ARG 11 2HD ARG 11 14.700 -2.023 -6.924 94 HE ARG 11 HE ARG 11 13.552 -1.713 -8.856 95 1HH1 ARG 11 1HH1 ARG 11 11.243 -1.820 -6.247 96 2HH1 ARG 11 2HH1 ARG 11 9.878 -1.546 -7.275 97 1HH2 ARG 11 1HH2 ARG 11 11.762 -1.351 -10.212 98 2HH2 ARG 11 2HH2 ARG 11 10.173 -1.280 -9.529 99 H THR 12 H THR 12 13.723 -4.920 -4.265 100 HA THR 12 HA THR 12 16.334 -6.069 -4.023 101 HB THR 12 HB THR 12 15.675 -3.888 -2.956 102 HG1 THR 12 1HG THR 12 17.305 -4.281 -1.665 103 1HG2 THR 12 1HG2 THR 12 14.631 -5.205 -0.565 104 2HG2 THR 12 2HG2 THR 12 13.551 -5.304 -1.955 105 3HG2 THR 12 3HG2 THR 12 14.094 -3.731 -1.372 106 H LEU 13 H LEU 13 13.119 -6.890 -2.997 107 HA LEU 13 HA LEU 13 13.723 -8.719 -0.971 108 1HB LEU 13 1HB LEU 13 11.497 -7.936 -1.174 109 2HB LEU 13 2HB LEU 13 11.376 -8.501 -2.830 110 HG LEU 13 HG LEU 13 11.211 -10.761 -2.163 111 1HD1 LEU 13 1HD1 LEU 13 12.976 -10.885 -0.556 112 2HD1 LEU 13 2HD1 LEU 13 11.487 -11.446 0.217 113 3HD1 LEU 13 3HD1 LEU 13 12.101 -9.829 0.559 114 1HD2 LEU 13 1HD2 LEU 13 9.596 -10.162 0.060 115 2HD2 LEU 13 2HD2 LEU 13 9.097 -10.405 -1.615 116 3HD2 LEU 13 3HD2 LEU 13 9.485 -8.784 -1.036 117 H ARG 14 H ARG 14 13.006 -9.346 -4.396 118 HA ARG 14 HA ARG 14 13.242 -12.066 -4.465 119 1HB ARG 14 1HB ARG 14 12.634 -10.597 -6.384 120 2HB ARG 14 2HB ARG 14 14.327 -10.157 -6.546 121 1HG ARG 14 2HG ARG 14 13.840 -11.799 -8.188 122 2HG ARG 14 1HG ARG 14 14.841 -12.562 -6.951 123 1HD ARG 14 1HD ARG 14 12.900 -13.593 -5.957 124 2HD ARG 14 2HD ARG 14 11.836 -12.748 -7.080 125 HE ARG 14 HE ARG 14 12.203 -14.444 -8.540 126 1HH1 ARG 14 1HH1 ARG 14 14.977 -14.223 -6.442 127 2HH1 ARG 14 2HH1 ARG 14 15.799 -15.556 -7.180 128 1HH2 ARG 14 1HH2 ARG 14 13.277 -16.201 -9.512 129 2HH2 ARG 14 2HH2 ARG 14 14.833 -16.682 -8.924 130 H ALA 15 H ALA 15 15.744 -9.708 -4.086 131 HA ALA 15 HA ALA 15 17.895 -11.605 -4.549 132 1HB ALA 15 1HB ALA 15 19.366 -9.781 -4.339 133 2HB ALA 15 2HB ALA 15 18.149 -8.805 -3.517 134 3HB ALA 15 3HB ALA 15 17.966 -9.183 -5.230 135 H GLN 16 H GLN 16 16.757 -9.604 -1.824 136 HA GLN 16 HA GLN 16 18.588 -10.651 0.057 137 1HB GLN 16 1HB GLN 16 16.968 -9.752 1.767 138 2HB GLN 16 2HB GLN 16 17.496 -8.581 0.563 139 1HG GLN 16 2HG GLN 16 15.429 -8.913 -0.674 140 2HG GLN 16 1HG GLN 16 14.895 -10.089 0.523 141 1HE2 GLN 16 1HE2 GLN 16 13.207 -9.153 1.456 142 2HE2 GLN 16 2HE2 GLN 16 13.216 -7.585 2.199 143 H ALA 17 H ALA 17 15.473 -11.656 -1.042 144 HA ALA 17 HA ALA 17 15.210 -13.744 0.944 145 1HB ALA 17 1HB ALA 17 13.101 -13.107 0.514 146 2HB ALA 17 2HB ALA 17 13.243 -14.246 -0.825 147 3HB ALA 17 3HB ALA 17 13.498 -12.518 -1.100 148 H ARG 18 H ARG 18 16.479 -13.280 -2.196 149 HA ARG 18 HA ARG 18 16.210 -15.665 -3.493 150 1HB ARG 18 2HB ARG 18 17.501 -13.761 -4.378 151 2HB ARG 18 1HB ARG 18 18.781 -14.089 -3.218 152 1HG ARG 18 1HG ARG 18 19.373 -14.932 -5.408 153 2HG ARG 18 2HG ARG 18 19.168 -16.265 -4.269 154 1HD ARG 18 2HD ARG 18 16.918 -16.663 -5.140 155 2HD ARG 18 1HD ARG 18 17.121 -15.331 -6.276 156 HE ARG 18 HE ARG 18 17.995 -17.976 -6.649 157 1HH1 ARG 18 1HH1 ARG 18 19.076 -14.695 -7.120 158 2HH1 ARG 18 2HH1 ARG 18 20.120 -15.095 -8.443 159 1HH2 ARG 18 1HH2 ARG 18 19.366 -18.508 -8.389 160 2HH2 ARG 18 2HH2 ARG 18 20.284 -17.261 -9.164 161 H GLU 19 H GLU 19 18.010 -15.005 -0.602 162 HA GLU 19 HA GLU 19 19.068 -17.751 -0.584 163 1HB GLU 19 2HB GLU 19 19.845 -15.372 1.111 164 2HB GLU 19 1HB GLU 19 20.583 -16.964 1.192 165 1HG GLU 19 1HG GLU 19 20.600 -15.175 -1.227 166 2HG GLU 19 2HG GLU 19 21.924 -15.339 -0.075 167 H SER 20 H SER 20 16.314 -17.413 -0.059 168 HA SER 20 HA SER 20 16.166 -18.654 2.530 169 1HB SER 20 2HB SER 20 14.778 -15.990 2.127 170 2HB SER 20 1HB SER 20 14.613 -17.036 3.537 171 HG SER 20 HG SER 20 16.450 -15.183 3.083 172 H THR 21 H THR 21 13.277 -17.811 2.734 173 HA THR 21 HA THR 21 12.189 -19.384 0.493 174 HB THR 21 HB THR 21 11.249 -19.515 3.370 175 HG1 THR 21 1HG THR 21 13.212 -20.607 3.161 176 1HG2 THR 21 1HG2 THR 21 9.404 -19.965 1.943 177 2HG2 THR 21 2HG2 THR 21 10.006 -21.534 2.479 178 3HG2 THR 21 3HG2 THR 21 10.390 -20.948 0.861 179 H LEU 22 H LEU 22 9.823 -19.001 0.138 180 HA LEU 22 HA LEU 22 9.269 -16.306 -0.201 181 1HB LEU 22 2HB LEU 22 7.466 -17.007 -1.317 182 2HB LEU 22 1HB LEU 22 8.110 -18.617 -1.053 183 HG LEU 22 HG LEU 22 6.166 -17.330 0.848 184 1HD1 LEU 22 1HD1 LEU 22 4.552 -18.967 -0.376 185 2HD1 LEU 22 2HD1 LEU 22 5.683 -18.771 -1.716 186 3HD1 LEU 22 3HD1 LEU 22 4.860 -17.361 -1.044 187 1HD2 LEU 22 1HD2 LEU 22 6.030 -19.308 1.904 188 2HD2 LEU 22 2HD2 LEU 22 7.678 -19.462 1.292 189 3HD2 LEU 22 3HD2 LEU 22 6.345 -20.244 0.441 190 H GLU 23 H GLU 23 9.114 -18.143 2.638 191 HA GLU 23 HA GLU 23 7.026 -17.302 4.115 192 1HB GLU 23 2HB GLU 23 8.863 -18.710 4.978 193 2HB GLU 23 1HB GLU 23 9.904 -17.296 5.056 194 1HG GLU 23 2HG GLU 23 9.120 -17.743 7.248 195 2HG GLU 23 1HG GLU 23 8.303 -16.289 6.673 196 H THR 24 H THR 24 9.632 -15.316 2.936 197 HA THR 24 HA THR 24 9.392 -13.079 4.585 198 HB THR 24 HB THR 24 11.226 -13.232 3.023 199 HG1 THR 24 1HG THR 24 11.246 -11.122 2.698 200 1HG2 THR 24 1HG2 THR 24 10.358 -14.374 1.162 201 2HG2 THR 24 2HG2 THR 24 10.720 -12.755 0.564 202 3HG2 THR 24 3HG2 THR 24 9.057 -13.203 0.943 203 H LEU 25 H LEU 25 7.566 -13.968 1.661 204 HA LEU 25 HA LEU 25 6.044 -11.584 1.612 205 1HB LEU 25 1HB LEU 25 4.420 -12.975 0.212 206 2HB LEU 25 2HB LEU 25 6.015 -12.670 -0.427 207 HG LEU 25 HG LEU 25 6.676 -14.971 0.291 208 1HD1 LEU 25 1HD2 LEU 25 4.104 -16.147 0.384 209 2HD1 LEU 25 2HD2 LEU 25 4.165 -14.882 1.611 210 3HD1 LEU 25 3HD2 LEU 25 5.374 -16.174 1.611 211 1HD2 LEU 25 1HD1 LEU 25 6.305 -15.140 -1.906 212 2HD2 LEU 25 2HD1 LEU 25 4.793 -14.237 -1.817 213 3HD2 LEU 25 3HD1 LEU 25 4.815 -15.956 -1.433 214 H GLU 26 H GLU 26 5.502 -14.773 3.059 215 HA GLU 26 HA GLU 26 2.890 -14.307 3.923 216 1HB GLU 26 2HB GLU 26 3.727 -16.521 4.090 217 2HB GLU 26 1HB GLU 26 5.108 -16.012 5.058 218 1HG GLU 26 1HG GLU 26 2.403 -15.541 6.172 219 2HG GLU 26 2HG GLU 26 2.982 -17.204 6.101 220 H GLU 27 H GLU 27 5.937 -13.094 4.959 221 HA GLU 27 HA GLU 27 4.932 -12.044 7.467 222 1HB GLU 27 1HB GLU 27 7.262 -12.784 7.311 223 2HB GLU 27 2HB GLU 27 7.564 -11.602 6.046 224 1HG GLU 27 2HG GLU 27 7.111 -9.794 7.623 225 2HG GLU 27 1HG GLU 27 6.810 -10.980 8.892 226 H MET 28 H MET 28 6.126 -10.682 4.397 227 HA MET 28 HA MET 28 5.126 -8.053 5.098 228 1HB MET 28 2HB MET 28 6.550 -9.012 2.616 229 2HB MET 28 1HB MET 28 6.172 -7.337 2.989 230 1HG MET 28 1HG MET 28 7.993 -9.131 4.572 231 2HG MET 28 2HG MET 28 8.495 -7.858 3.459 232 1HE MET 28 1HE MET 28 9.561 -7.743 6.691 233 2HE MET 28 2HE MET 28 9.590 -5.992 6.478 234 3HE MET 28 3HE MET 28 10.001 -7.052 5.129 235 H LEU 29 H LEU 29 4.613 -10.425 2.529 236 HA LEU 29 HA LEU 29 2.647 -9.019 1.090 237 1HB LEU 29 2HB LEU 29 3.867 -10.832 0.122 238 2HB LEU 29 1HB LEU 29 3.271 -11.966 1.309 239 HG LEU 29 HG LEU 29 1.002 -11.743 0.334 240 1HD1 LEU 29 1HD2 LEU 29 2.034 -10.475 -2.108 241 2HD1 LEU 29 2HD2 LEU 29 1.876 -9.406 -0.714 242 3HD1 LEU 29 3HD2 LEU 29 0.473 -10.297 -1.307 243 1HD2 LEU 29 1HD1 LEU 29 1.642 -12.801 -1.903 244 2HD2 LEU 29 2HD1 LEU 29 2.246 -13.583 -0.440 245 3HD2 LEU 29 3HD1 LEU 29 3.316 -12.561 -1.401 246 H GLU 30 H GLU 30 2.415 -10.854 4.027 247 HA GLU 30 HA GLU 30 -0.444 -11.193 3.918 248 1HB GLU 30 2HB GLU 30 0.618 -12.807 5.245 249 2HB GLU 30 1HB GLU 30 1.633 -11.617 6.047 250 1HG GLU 30 1HG GLU 30 0.004 -12.410 7.599 251 2HG GLU 30 2HG GLU 30 -0.366 -10.737 7.197 252 H LYS 31 H LYS 31 1.788 -8.826 5.209 253 HA LYS 31 HA LYS 31 -0.317 -7.420 6.639 254 1HB LYS 31 1HB LYS 31 2.484 -6.417 6.194 255 2HB LYS 31 2HB LYS 31 1.383 -6.045 7.517 256 1HG LYS 31 1HG LYS 31 2.736 -8.677 6.994 257 2HG LYS 31 2HG LYS 31 3.134 -7.528 8.276 258 1HD LYS 31 2HD LYS 31 0.983 -7.887 9.318 259 2HD LYS 31 1HD LYS 31 0.470 -8.917 7.978 260 1HE LYS 31 1HE LYS 31 1.130 -10.261 9.896 261 2HE LYS 31 2HE LYS 31 2.220 -10.525 8.535 262 1HZ LYS 31 1HZ LYS 31 3.570 -8.645 9.733 263 2HZ LYS 31 2HZ LYS 31 3.708 -10.258 10.223 264 3HZ LYS 31 3HZ LYS 31 2.727 -9.191 11.096 265 H LEU 32 H LEU 32 1.481 -7.269 3.711 266 HA LEU 32 HA LEU 32 0.798 -4.644 2.915 267 1HB LEU 32 2HB LEU 32 2.671 -5.922 1.986 268 2HB LEU 32 1HB LEU 32 1.538 -7.045 1.261 269 HG LEU 32 HG LEU 32 0.657 -5.239 -0.160 270 1HD1 LEU 32 1HD1 LEU 32 1.687 -3.565 1.772 271 2HD1 LEU 32 2HD1 LEU 32 1.030 -3.076 0.210 272 3HD1 LEU 32 3HD1 LEU 32 2.767 -3.322 0.399 273 1HD2 LEU 32 1HD2 LEU 32 3.665 -5.350 -0.261 274 2HD2 LEU 32 2HD2 LEU 32 2.572 -4.971 -1.590 275 3HD2 LEU 32 3HD2 LEU 32 2.589 -6.591 -0.900 276 H GLU 33 H GLU 33 -0.842 -7.680 2.924 277 HA GLU 33 HA GLU 33 -2.859 -6.762 1.035 278 1HB GLU 33 2HB GLU 33 -3.899 -8.949 1.334 279 2HB GLU 33 1HB GLU 33 -2.194 -9.110 0.945 280 1HG GLU 33 2HG GLU 33 -2.208 -10.589 2.622 281 2HG GLU 33 1HG GLU 33 -2.085 -9.157 3.638 282 H VAL 34 H VAL 34 -2.544 -7.436 4.503 283 HA VAL 34 HA VAL 34 -5.240 -6.849 5.141 284 HB VAL 34 HB VAL 34 -4.543 -6.633 7.451 285 1HG1 VAL 34 1HG1 VAL 34 -3.500 -8.880 5.812 286 2HG1 VAL 34 2HG1 VAL 34 -4.763 -8.866 7.044 287 3HG1 VAL 34 3HG1 VAL 34 -3.066 -8.819 7.521 288 1HG2 VAL 34 1HG2 VAL 34 -2.566 -5.336 7.312 289 2HG2 VAL 34 2HG2 VAL 34 -1.756 -6.553 6.326 290 3HG2 VAL 34 3HG2 VAL 34 -2.107 -6.883 8.022 291 H VAL 35 H VAL 35 -2.353 -4.886 4.736 292 HA VAL 35 HA VAL 35 -3.275 -2.512 5.888 293 HB VAL 35 HB VAL 35 -0.940 -2.736 5.161 294 1HG1 VAL 35 1HG1 VAL 35 -0.862 -3.890 3.181 295 2HG1 VAL 35 2HG1 VAL 35 -0.577 -2.240 2.625 296 3HG1 VAL 35 3HG1 VAL 35 -2.178 -2.964 2.461 297 1HG2 VAL 35 1HG2 VAL 35 -1.172 -0.528 3.530 298 2HG2 VAL 35 2HG2 VAL 35 -1.063 -0.518 5.292 299 3HG2 VAL 35 3HG2 VAL 35 -2.642 -0.480 4.505 300 H VAL 36 H VAL 36 -3.556 -3.698 2.526 301 HA VAL 36 HA VAL 36 -5.286 -1.526 1.803 302 HB VAL 36 HB VAL 36 -5.839 -3.546 -0.017 303 1HG1 VAL 36 1HG2 VAL 36 -3.654 -1.621 -0.580 304 2HG1 VAL 36 2HG2 VAL 36 -5.235 -0.976 -0.115 305 3HG1 VAL 36 3HG2 VAL 36 -5.084 -2.028 -1.527 306 1HG2 VAL 36 1HG1 VAL 36 -2.897 -3.591 0.614 307 2HG2 VAL 36 2HG1 VAL 36 -3.689 -4.396 -0.739 308 3HG2 VAL 36 3HG1 VAL 36 -4.036 -4.902 0.914 309 H ASN 37 H ASN 37 -5.704 -4.751 3.088 310 HA ASN 37 HA ASN 37 -8.333 -5.295 2.480 311 1HB ASN 37 1HB ASN 37 -7.014 -6.879 3.746 312 2HB ASN 37 2HB ASN 37 -6.852 -5.743 5.083 313 1HD2 ASN 37 1HD2 ASN 37 -8.021 -6.295 6.744 314 2HD2 ASN 37 2HD2 ASN 37 -9.597 -7.023 6.699 315 H GLU 38 H GLU 38 -7.027 -3.141 4.921 316 HA GLU 38 HA GLU 38 -9.527 -2.375 6.043 317 1HB GLU 38 1HB GLU 38 -6.880 -0.908 5.995 318 2HB GLU 38 2HB GLU 38 -8.258 -0.479 7.002 319 1HG GLU 38 2HG GLU 38 -8.089 -2.633 8.146 320 2HG GLU 38 1HG GLU 38 -6.703 -3.054 7.142 321 H ARG 39 H ARG 39 -7.535 -1.298 3.402 322 HA ARG 39 HA ARG 39 -9.030 1.074 2.814 323 1HB ARG 39 1HB ARG 39 -6.886 -0.475 1.385 324 2HB ARG 39 2HB ARG 39 -7.695 0.878 0.615 325 1HG ARG 39 1HG ARG 39 -5.613 1.586 1.581 326 2HG ARG 39 2HG ARG 39 -6.958 2.344 2.428 327 1HD ARG 39 1HD ARG 39 -6.761 0.574 4.164 328 2HD ARG 39 2HD ARG 39 -5.315 0.003 3.335 329 HE ARG 39 HE ARG 39 -4.156 1.669 4.356 330 1HH1 ARG 39 1HH1 ARG 39 -7.521 2.569 4.290 331 2HH1 ARG 39 2HH1 ARG 39 -7.275 4.048 5.156 332 1HH2 ARG 39 1HH2 ARG 39 -3.824 3.612 5.501 333 2HH2 ARG 39 2HH2 ARG 39 -5.177 4.639 5.845 334 H ARG 40 H ARG 40 -8.837 -2.166 1.358 335 HA ARG 40 HA ARG 40 -10.510 -1.773 -0.789 336 1HB ARG 40 1HB ARG 40 -10.227 -4.250 0.930 337 2HB ARG 40 2HB ARG 40 -10.991 -4.214 -0.653 338 1HG ARG 40 2HG ARG 40 -8.116 -3.431 -0.168 339 2HG ARG 40 1HG ARG 40 -8.626 -5.057 -0.636 340 1HD ARG 40 1HD ARG 40 -7.843 -3.670 -2.534 341 2HD ARG 40 2HD ARG 40 -9.494 -4.255 -2.720 342 HE ARG 40 HE ARG 40 -10.158 -2.088 -2.859 343 1HH1 ARG 40 1HH1 ARG 40 -7.124 -2.175 -1.147 344 2HH1 ARG 40 2HH1 ARG 40 -6.995 -0.453 -1.032 345 1HH2 ARG 40 1HH2 ARG 40 -9.994 0.178 -2.710 346 2HH2 ARG 40 2HH2 ARG 40 -8.625 0.885 -1.919 347 H GLU 41 H GLU 41 -11.260 -2.319 2.586 348 HA GLU 41 HA GLU 41 -14.123 -2.322 2.082 349 1HB GLU 41 2HB GLU 41 -12.562 -2.442 4.665 350 2HB GLU 41 1HB GLU 41 -14.309 -2.583 4.538 351 1HG GLU 41 2HG GLU 41 -12.318 -4.460 3.284 352 2HG GLU 41 1HG GLU 41 -13.197 -4.753 4.785 353 H GLU 42 H GLU 42 -11.760 -0.216 3.738 354 HA GLU 42 HA GLU 42 -13.802 1.778 4.247 355 1HB GLU 42 1HB GLU 42 -10.853 1.762 4.888 356 2HB GLU 42 2HB GLU 42 -11.982 3.018 5.379 357 1HG GLU 42 1HG GLU 42 -13.248 1.372 6.671 358 2HG GLU 42 2HG GLU 42 -12.105 0.120 6.186 359 H GLU 43 H GLU 43 -10.815 1.575 2.317 360 HA GLU 43 HA GLU 43 -10.761 4.182 1.382 361 1HB GLU 43 2HB GLU 43 -9.017 2.421 1.003 362 2HB GLU 43 1HB GLU 43 -10.048 1.756 -0.255 363 1HG GLU 43 2HG GLU 43 -8.925 4.548 -0.233 364 2HG GLU 43 1HG GLU 43 -8.260 3.190 -1.129 365 H SER 44 H SER 44 -12.432 1.362 0.005 366 HA SER 44 HA SER 44 -13.591 2.693 -2.185 367 1HB SER 44 2HB SER 44 -15.187 0.821 -2.240 368 2HB SER 44 1HB SER 44 -13.549 0.227 -1.960 369 HG SER 44 HG SER 44 -15.745 0.002 -0.398 370 H ALA 45 H ALA 45 -14.489 2.327 1.161 371 HA ALA 45 HA ALA 45 -17.086 3.386 1.085 372 1HB ALA 45 1HB ALA 45 -16.784 2.494 3.133 373 2HB ALA 45 2HB ALA 45 -16.178 4.098 3.550 374 3HB ALA 45 3HB ALA 45 -15.045 2.810 3.122 375 H ALA 46 H ALA 46 -13.908 4.894 1.479 376 HA ALA 46 HA ALA 46 -14.764 7.517 1.993 377 1HB ALA 46 1HB ALA 46 -12.243 6.581 0.615 378 2HB ALA 46 2HB ALA 46 -12.459 6.791 2.353 379 3HB ALA 46 3HB ALA 46 -12.512 8.190 1.283 380 H ALA 47 H ALA 47 -13.983 5.845 -1.032 381 HA ALA 47 HA ALA 47 -14.376 8.017 -2.779 382 1HB ALA 47 1HB ALA 47 -14.505 6.387 -4.540 383 2HB ALA 47 2HB ALA 47 -14.873 5.103 -3.389 384 3HB ALA 47 3HB ALA 47 -13.281 5.864 -3.382 385 H ALA 48 H ALA 48 -16.599 5.643 -1.418 386 HA ALA 48 HA ALA 48 -18.863 6.224 -2.950 387 1HB ALA 48 1HB ALA 48 -19.318 5.608 -0.100 388 2HB ALA 48 2HB ALA 48 -18.332 4.451 -0.994 389 3HB ALA 48 3HB ALA 48 -19.961 4.832 -1.548 390 H GLU 49 H GLU 49 -17.637 7.686 0.032 391 HA GLU 49 HA GLU 49 -19.801 9.482 0.430 392 1HB GLU 49 2HB GLU 49 -16.984 10.122 1.252 393 2HB GLU 49 1HB GLU 49 -18.486 10.493 2.085 394 1HG GLU 49 2HG GLU 49 -17.306 7.754 1.784 395 2HG GLU 49 1HG GLU 49 -17.152 8.776 3.208 396 H VAL 50 H VAL 50 -16.771 9.633 -1.301 397 HA VAL 50 HA VAL 50 -16.513 12.276 -1.870 398 HB VAL 50 HB VAL 50 -15.961 9.963 -3.729 399 1HG1 VAL 50 1HG1 VAL 50 -14.312 11.487 -4.774 400 2HG1 VAL 50 2HG1 VAL 50 -14.981 12.810 -3.817 401 3HG1 VAL 50 3HG1 VAL 50 -15.985 11.992 -5.015 402 1HG2 VAL 50 1HG2 VAL 50 -14.854 10.494 -1.279 403 2HG2 VAL 50 2HG2 VAL 50 -13.724 11.271 -2.389 404 3HG2 VAL 50 3HG2 VAL 50 -14.096 9.556 -2.566 405 H GLU 51 H GLU 51 -18.656 9.963 -3.479 406 HA GLU 51 HA GLU 51 -20.161 12.196 -4.601 407 1HB GLU 51 2HB GLU 51 -19.104 9.923 -6.290 408 2HB GLU 51 1HB GLU 51 -20.251 11.139 -6.835 409 1HG GLU 51 1HG GLU 51 -18.581 12.880 -6.499 410 2HG GLU 51 2HG GLU 51 -17.429 11.669 -5.932 411 H GLU 52 H GLU 52 -22.322 11.834 -4.710 412 HA GLU 52 HA GLU 52 -23.355 9.117 -4.504 413 1HB GLU 52 2HB GLU 52 -23.902 11.269 -2.455 414 2HB GLU 52 1HB GLU 52 -24.877 9.815 -2.621 415 1HG GLU 52 2HG GLU 52 -21.927 9.834 -2.027 416 2HG GLU 52 1HG GLU 52 -23.198 9.696 -0.813 417 H ARG 53 H ARG 53 -23.481 10.765 -6.696 418 HA ARG 53 HA ARG 53 -24.904 11.668 -8.227 419 1HB ARG 53 1HB ARG 53 -26.978 10.222 -6.568 420 2HB ARG 53 2HB ARG 53 -27.216 10.827 -8.201 421 1HG ARG 53 2HG ARG 53 -25.220 8.713 -7.416 422 2HG ARG 53 1HG ARG 53 -26.808 8.407 -8.125 423 1HD ARG 53 2HD ARG 53 -26.155 9.679 -10.115 424 2HD ARG 53 1HD ARG 53 -24.565 9.962 -9.407 425 HE ARG 53 HE ARG 53 -25.004 7.209 -9.452 426 1HH1 ARG 53 1HH1 ARG 53 -24.583 9.837 -11.700 427 2HH1 ARG 53 2HH1 ARG 53 -23.880 8.840 -12.930 428 1HH2 ARG 53 1HH2 ARG 53 -24.080 5.891 -11.065 429 2HH2 ARG 53 2HH2 ARG 53 -23.594 6.597 -12.569 430 H THR 54 H THR 54 -24.226 13.375 -6.091 431 HA THR 54 HA THR 54 -26.445 15.240 -6.240 432 HB THR 54 HB THR 54 -26.408 15.710 -3.795 433 HG1 THR 54 1HG THR 54 -24.712 14.836 -2.845 434 1HG2 THR 54 1HG2 THR 54 -28.226 14.386 -4.630 435 2HG2 THR 54 2HG2 THR 54 -27.692 13.678 -3.107 436 3HG2 THR 54 3HG2 THR 54 -27.231 12.931 -4.637 437 H ARG 55 H ARG 55 -25.741 17.290 -6.405 438 HA ARG 55 HA ARG 55 -22.956 17.813 -6.601 439 1HB ARG 55 1HB ARG 55 -25.318 19.700 -6.540 440 2HB ARG 55 2HB ARG 55 -23.667 20.194 -6.881 441 1HG ARG 55 2HG ARG 55 -24.795 19.991 -8.955 442 2HG ARG 55 1HG ARG 55 -23.681 18.630 -8.827 443 1HD ARG 55 2HD ARG 55 -25.840 17.923 -9.711 444 2HD ARG 55 1HD ARG 55 -25.515 17.177 -8.146 445 HE ARG 55 HE ARG 55 -26.983 19.519 -7.718 446 1HH1 ARG 55 1HH1 ARG 55 -27.381 16.365 -9.141 447 2HH1 ARG 55 2HH1 ARG 55 -29.082 16.292 -8.821 448 1HH2 ARG 55 1HH2 ARG 55 -29.221 19.434 -7.293 449 2HH2 ARG 55 2HH2 ARG 55 -30.128 18.038 -7.771 450 H LYS 56 H LYS 56 -21.547 18.591 -5.153 451 HA LYS 56 HA LYS 56 -22.177 20.199 -2.937 452 1HB LYS 56 2HB LYS 56 -23.217 18.046 -2.170 453 2HB LYS 56 1HB LYS 56 -21.618 17.317 -2.207 454 1HG LYS 56 2HG LYS 56 -22.188 17.941 0.049 455 2HG LYS 56 1HG LYS 56 -20.857 18.946 -0.529 456 1HD LYS 56 2HD LYS 56 -22.420 20.760 -1.003 457 2HD LYS 56 1HD LYS 56 -23.762 19.757 -0.450 458 1HE LYS 56 2HE LYS 56 -21.423 20.660 1.227 459 2HE LYS 56 1HE LYS 56 -23.049 21.340 1.275 460 1HZ LYS 56 1HZ LYS 56 -23.768 19.684 2.558 461 2HZ LYS 56 2HZ LYS 56 -22.139 19.315 2.831 462 3HZ LYS 56 3HZ LYS 56 -23.003 18.492 1.631 463 H LEU 57 H LEU 57 -20.297 20.368 -4.892 464 HA LEU 57 HA LEU 57 -17.840 20.363 -3.346 465 1HB LEU 57 2HB LEU 57 -18.107 18.875 -5.960 466 2HB LEU 57 1HB LEU 57 -16.571 19.297 -5.228 467 HG LEU 57 HG LEU 57 -18.643 17.514 -3.944 468 1HD1 LEU 57 1HD2 LEU 57 -16.915 15.734 -4.435 469 2HD1 LEU 57 2HD2 LEU 57 -16.183 16.887 -5.552 470 3HD1 LEU 57 3HD2 LEU 57 -17.836 16.330 -5.816 471 1HD2 LEU 57 1HD1 LEU 57 -15.798 18.168 -3.193 472 2HD2 LEU 57 2HD1 LEU 57 -16.794 16.935 -2.420 473 3HD2 LEU 57 3HD1 LEU 57 -17.253 18.635 -2.313 474 H SER 1 1HT SER 1 -11.596 -9.886 1.682 475 HA SER 1 HA SER 1 -12.938 -9.732 -0.721 476 1HB SER 1 2HB SER 1 -12.496 -7.326 -0.438 477 2HB SER 1 1HB SER 1 -12.913 -8.076 1.102 478 HG SER 1 HG SER 1 -11.069 -6.649 1.179 479 H GLU 2 H GLU 2 -11.074 -7.371 -1.520 480 HA GLU 2 HA GLU 2 -9.818 -8.779 -3.687 481 1HB GLU 2 1HB GLU 2 -10.904 -6.614 -4.052 482 2HB GLU 2 2HB GLU 2 -9.766 -5.847 -2.954 483 1HG GLU 2 1HG GLU 2 -7.929 -6.405 -4.460 484 2HG GLU 2 2HG GLU 2 -9.069 -7.179 -5.561 485 H ALA 3 H ALA 3 -8.811 -7.418 -0.648 486 HA ALA 3 HA ALA 3 -6.005 -7.383 -1.307 487 1HB ALA 3 1HB ALA 3 -5.642 -6.616 0.904 488 2HB ALA 3 2HB ALA 3 -7.207 -7.220 1.447 489 3HB ALA 3 3HB ALA 3 -7.125 -5.841 0.349 490 H LEU 4 H LEU 4 -8.263 -9.551 0.089 491 HA LEU 4 HA LEU 4 -6.311 -11.364 1.165 492 1HB LEU 4 1HB LEU 4 -9.300 -11.574 0.814 493 2HB LEU 4 2HB LEU 4 -8.312 -12.713 1.715 494 HG LEU 4 HG LEU 4 -9.279 -11.338 3.357 495 1HD1 LEU 4 1HD1 LEU 4 -6.527 -10.369 2.668 496 2HD1 LEU 4 2HD1 LEU 4 -6.993 -11.576 3.869 497 3HD1 LEU 4 3HD1 LEU 4 -7.368 -9.873 4.137 498 1HD2 LEU 4 1HD2 LEU 4 -8.414 -8.751 2.209 499 2HD2 LEU 4 2HD2 LEU 4 -9.855 -9.156 3.144 500 3HD2 LEU 4 3HD2 LEU 4 -9.778 -9.554 1.429 501 H LYS 5 H LYS 5 -8.378 -11.027 -1.601 502 HA LYS 5 HA LYS 5 -7.788 -13.616 -2.705 503 1HB LYS 5 2HB LYS 5 -9.966 -12.569 -3.081 504 2HB LYS 5 1HB LYS 5 -9.187 -11.238 -3.928 505 1HG LYS 5 1HG LYS 5 -10.214 -12.941 -5.408 506 2HG LYS 5 2HG LYS 5 -8.493 -12.675 -5.700 507 1HD LYS 5 1HD LYS 5 -7.978 -14.662 -4.360 508 2HD LYS 5 2HD LYS 5 -9.703 -14.930 -4.102 509 1HE LYS 5 1HE LYS 5 -10.026 -15.200 -6.510 510 2HE LYS 5 2HE LYS 5 -8.306 -14.922 -6.776 511 1HZ LYS 5 1HZ LYS 5 -9.627 -17.325 -6.103 512 2HZ LYS 5 2HZ LYS 5 -8.493 -16.951 -4.905 513 3HZ LYS 5 3HZ LYS 5 -8.004 -17.084 -6.517 514 H ILE 6 H ILE 6 -6.595 -10.346 -3.057 515 HA ILE 6 HA ILE 6 -5.293 -10.470 -5.498 516 HB ILE 6 HB ILE 6 -5.506 -8.443 -4.029 517 1HG1 ILE 6 1HG1 ILE 6 -2.794 -9.236 -5.106 518 2HG1 ILE 6 2HG1 ILE 6 -4.029 -8.260 -5.901 519 1HG2 ILE 6 1HG2 ILE 6 -4.536 -9.923 -2.052 520 2HG2 ILE 6 2HG2 ILE 6 -4.385 -8.166 -2.086 521 3HG2 ILE 6 3HG2 ILE 6 -3.031 -9.177 -2.589 522 1HD1 ILE 6 1HD1 ILE 6 -3.619 -6.714 -3.796 523 2HD1 ILE 6 2HD1 ILE 6 -2.623 -6.612 -5.250 524 3HD1 ILE 6 3HD1 ILE 6 -2.042 -7.510 -3.842 525 H LEU 7 H LEU 7 -4.337 -11.494 -2.311 526 HA LEU 7 HA LEU 7 -1.896 -12.712 -3.344 527 1HB LEU 7 2HB LEU 7 -1.041 -11.727 -1.526 528 2HB LEU 7 1HB LEU 7 -2.636 -11.335 -0.917 529 HG LEU 7 HG LEU 7 -2.646 -13.844 -0.156 530 1HD1 LEU 7 1HD1 LEU 7 -0.014 -14.003 0.613 531 2HD1 LEU 7 2HD1 LEU 7 0.085 -13.438 -1.057 532 3HD1 LEU 7 3HD1 LEU 7 -0.776 -14.932 -0.683 533 1HD2 LEU 7 1HD2 LEU 7 -2.773 -11.903 1.313 534 2HD2 LEU 7 2HD2 LEU 7 -1.015 -11.741 1.249 535 3HD2 LEU 7 3HD2 LEU 7 -1.743 -13.166 1.993 536 H ASN 8 H ASN 8 -5.031 -13.345 -2.188 537 HA ASN 8 HA ASN 8 -6.212 -15.271 -1.845 538 1HB ASN 8 2HB ASN 8 -4.960 -15.964 -3.969 539 2HB ASN 8 1HB ASN 8 -3.830 -16.804 -2.909 540 1HD2 ASN 8 1HD2 ASN 8 -6.468 -17.190 -4.787 541 2HD2 ASN 8 2HD2 ASN 8 -7.150 -18.614 -4.059 542 H ASN 9 H ASN 9 -4.415 -14.087 0.072 543 HA ASN 9 HA ASN 9 -3.674 -14.391 2.183 544 1HB ASN 9 2HB ASN 9 -5.092 -17.051 1.945 545 2HB ASN 9 1HB ASN 9 -4.527 -16.326 3.447 546 1HD2 ASN 9 1HD2 ASN 9 -5.548 -13.810 1.551 547 2HD2 ASN 9 2HD2 ASN 9 -7.172 -13.687 2.119 548 H ILE 10 H ILE 10 -1.685 -14.785 2.879 549 HA ILE 10 HA ILE 10 0.211 -16.230 1.436 550 HB ILE 10 HB ILE 10 1.724 -15.961 3.292 551 1HG1 ILE 10 1HG1 ILE 10 0.163 -16.551 5.114 552 2HG1 ILE 10 2HG1 ILE 10 1.027 -15.053 5.441 553 1HG2 ILE 10 1HG2 ILE 10 1.025 -13.387 3.736 554 2HG2 ILE 10 2HG2 ILE 10 0.077 -13.749 2.292 555 3HG2 ILE 10 3HG2 ILE 10 1.829 -13.972 2.277 556 1HD1 ILE 10 1HD1 ILE 10 -1.822 -15.339 4.538 557 2HD1 ILE 10 2HD1 ILE 10 -0.970 -13.801 4.691 558 3HD1 ILE 10 3HD1 ILE 10 -1.245 -14.805 6.115 559 H ARG 11 H ARG 11 -1.973 -17.289 3.934 560 HA ARG 11 HA ARG 11 -0.686 -19.579 4.837 561 1HB ARG 11 1HB ARG 11 -2.964 -20.425 5.365 562 2HB ARG 11 2HB ARG 11 -2.690 -18.776 5.909 563 1HG ARG 11 1HG ARG 11 -3.861 -17.987 3.846 564 2HG ARG 11 2HG ARG 11 -4.276 -19.669 3.516 565 1HD ARG 11 1HD ARG 11 -5.049 -18.079 5.957 566 2HD ARG 11 2HD ARG 11 -6.115 -18.551 4.635 567 HE ARG 11 HE ARG 11 -4.975 -20.868 5.689 568 1HH1 ARG 11 1HH1 ARG 11 -7.163 -18.333 6.649 569 2HH1 ARG 11 2HH1 ARG 11 -8.050 -19.336 7.749 570 1HH2 ARG 11 1HH2 ARG 11 -6.135 -22.197 7.136 571 2HH2 ARG 11 2HH2 ARG 11 -7.464 -21.533 8.026 572 H THR 12 H THR 12 -2.988 -19.281 2.135 573 HA THR 12 HA THR 12 -2.629 -21.989 1.282 574 HB THR 12 HB THR 12 -3.855 -19.623 -0.154 575 HG1 THR 12 1HG THR 12 -5.680 -21.375 0.483 576 1HG2 THR 12 1HG2 THR 12 -3.049 -21.450 -1.664 577 2HG2 THR 12 2HG2 THR 12 -4.792 -21.182 -1.716 578 3HG2 THR 12 3HG2 THR 12 -4.137 -22.553 -0.820 579 H LEU 13 H LEU 13 -1.249 -18.888 0.481 580 HA LEU 13 HA LEU 13 0.019 -19.550 -1.921 581 1HB LEU 13 2HB LEU 13 -0.096 -17.282 -1.483 582 2HB LEU 13 1HB LEU 13 0.476 -17.467 0.165 583 HG LEU 13 HG LEU 13 2.731 -17.827 -0.584 584 1HD1 LEU 13 1HD1 LEU 13 2.500 -19.135 -2.517 585 2HD1 LEU 13 2HD1 LEU 13 3.224 -17.616 -3.063 586 3HD1 LEU 13 3HD1 LEU 13 1.505 -17.916 -3.322 587 1HD2 LEU 13 1HD2 LEU 13 1.222 -15.461 -1.299 588 2HD2 LEU 13 2HD2 LEU 13 2.671 -15.660 -2.285 589 3HD2 LEU 13 3HD2 LEU 13 2.801 -15.611 -0.526 590 H ARG 14 H ARG 14 1.508 -19.315 1.315 591 HA ARG 14 HA ARG 14 4.029 -20.132 0.756 592 1HB ARG 14 1HB ARG 14 3.058 -19.418 2.974 593 2HB ARG 14 2HB ARG 14 2.495 -21.071 3.174 594 1HG ARG 14 2HG ARG 14 4.768 -21.886 3.115 595 2HG ARG 14 1HG ARG 14 5.365 -20.250 2.822 596 1HD ARG 14 2HD ARG 14 4.283 -19.575 4.974 597 2HD ARG 14 1HD ARG 14 3.974 -21.283 5.278 598 HE ARG 14 HE ARG 14 6.371 -19.950 5.788 599 1HH1 ARG 14 1HH1 ARG 14 5.275 -22.896 4.281 600 2HH1 ARG 14 2HH1 ARG 14 6.740 -23.758 4.611 601 1HH2 ARG 14 1HH2 ARG 14 8.300 -21.076 6.219 602 2HH2 ARG 14 2HH2 ARG 14 8.457 -22.725 5.713 603 H ALA 15 H ALA 15 1.166 -22.059 0.735 604 HA ALA 15 HA ALA 15 2.592 -24.587 0.745 605 1HB ALA 15 1HB ALA 15 0.472 -25.619 0.744 606 2HB ALA 15 2HB ALA 15 -0.319 -24.149 0.177 607 3HB ALA 15 3HB ALA 15 0.342 -24.222 1.811 608 H GLN 16 H GLN 16 0.530 -22.782 -1.532 609 HA GLN 16 HA GLN 16 0.861 -24.589 -3.685 610 1HB GLN 16 2HB GLN 16 0.099 -22.637 -5.094 611 2HB GLN 16 1HB GLN 16 -0.975 -23.055 -3.764 612 1HG GLN 16 1HG GLN 16 -0.020 -21.246 -2.433 613 2HG GLN 16 2HG GLN 16 1.042 -20.823 -3.772 614 1HE2 GLN 16 1HE2 GLN 16 0.363 -18.917 -4.452 615 2HE2 GLN 16 2HE2 GLN 16 -1.272 -18.524 -4.888 616 H ALA 17 H ALA 17 2.637 -21.850 -2.558 617 HA ALA 17 HA ALA 17 4.458 -21.829 -4.807 618 1HB ALA 17 1HB ALA 17 4.329 -19.675 -4.183 619 2HB ALA 17 2HB ALA 17 5.580 -20.144 -3.031 620 3HB ALA 17 3HB ALA 17 3.889 -20.074 -2.521 621 H ARG 18 H ARG 18 4.156 -23.262 -1.720 622 HA ARG 18 HA ARG 18 6.667 -23.558 -0.724 623 1HB ARG 18 2HB ARG 18 4.664 -24.610 0.259 624 2HB ARG 18 1HB ARG 18 4.651 -25.794 -1.040 625 1HG ARG 18 2HG ARG 18 5.596 -26.751 0.967 626 2HG ARG 18 1HG ARG 18 6.829 -26.628 -0.290 627 1HD ARG 18 1HD ARG 18 7.673 -24.574 0.744 628 2HD ARG 18 2HD ARG 18 6.447 -24.707 2.004 629 HE ARG 18 HE ARG 18 8.938 -26.004 1.973 630 1HH1 ARG 18 1HH1 ARG 18 5.589 -26.636 2.710 631 2HH1 ARG 18 2HH1 ARG 18 5.945 -27.879 3.861 632 1HH2 ARG 18 1HH2 ARG 18 9.413 -27.639 3.487 633 2HH2 ARG 18 2HH2 ARG 18 8.118 -28.449 4.304 634 H GLU 19 H GLU 19 5.387 -24.926 -3.650 635 HA GLU 19 HA GLU 19 7.908 -26.379 -4.103 636 1HB GLU 19 1HB GLU 19 6.677 -27.574 -5.888 637 2HB GLU 19 2HB GLU 19 5.950 -27.783 -4.300 638 1HG GLU 19 1HG GLU 19 4.266 -26.101 -4.851 639 2HG GLU 19 2HG GLU 19 4.993 -25.900 -6.445 640 H SER 20 H SER 20 8.029 -23.610 -4.364 641 HA SER 20 HA SER 20 9.039 -23.366 -7.006 642 1HB SER 20 2HB SER 20 7.524 -21.585 -7.809 643 2HB SER 20 1HB SER 20 6.677 -23.115 -7.580 644 HG SER 20 HG SER 20 5.444 -22.158 -6.188 645 H THR 21 H THR 21 9.150 -20.710 -7.401 646 HA THR 21 HA THR 21 10.892 -19.836 -5.254 647 HB THR 21 HB THR 21 10.272 -18.492 -7.894 648 HG1 THR 21 1HG THR 21 12.542 -20.054 -7.163 649 1HG2 THR 21 1HG2 THR 21 11.182 -16.809 -6.571 650 2HG2 THR 21 2HG2 THR 21 12.606 -17.485 -7.359 651 3HG2 THR 21 3HG2 THR 21 12.229 -17.925 -5.694 652 H LEU 22 H LEU 22 10.748 -17.702 -4.299 653 HA LEU 22 HA LEU 22 8.180 -17.070 -3.372 654 1HB LEU 22 1HB LEU 22 9.236 -15.750 -1.905 655 2HB LEU 22 2HB LEU 22 10.697 -16.487 -2.534 656 HG LEU 22 HG LEU 22 9.558 -13.909 -3.596 657 1HD1 LEU 22 1HD1 LEU 22 11.742 -14.291 -1.562 658 2HD1 LEU 22 2HD1 LEU 22 10.119 -13.681 -1.227 659 3HD1 LEU 22 3HD1 LEU 22 11.216 -12.758 -2.259 660 1HD2 LEU 22 1HD2 LEU 22 12.417 -14.643 -3.792 661 2HD2 LEU 22 2HD2 LEU 22 11.397 -13.719 -4.899 662 3HD2 LEU 22 3HD2 LEU 22 11.280 -15.481 -4.849 663 H GLU 23 H GLU 23 9.709 -16.320 -6.283 664 HA GLU 23 HA GLU 23 9.122 -13.804 -7.003 665 1HB GLU 23 2HB GLU 23 8.737 -14.580 -9.286 666 2HB GLU 23 1HB GLU 23 10.059 -15.468 -8.541 667 1HG GLU 23 1HG GLU 23 8.570 -17.348 -8.113 668 2HG GLU 23 2HG GLU 23 7.238 -16.461 -8.853 669 H THR 24 H THR 24 6.803 -16.242 -6.194 670 HA THR 24 HA THR 24 4.478 -15.329 -7.382 671 HB THR 24 HB THR 24 4.774 -16.400 -4.565 672 HG1 THR 24 1HG THR 24 3.824 -18.275 -6.010 673 1HG2 THR 24 1HG2 THR 24 2.357 -17.173 -5.127 674 2HG2 THR 24 2HG2 THR 24 2.398 -15.863 -6.307 675 3HG2 THR 24 3HG2 THR 24 2.627 -15.515 -4.593 676 H LEU 25 H LEU 25 6.132 -14.161 -4.476 677 HA LEU 25 HA LEU 25 4.175 -12.223 -3.840 678 1HB LEU 25 2HB LEU 25 6.063 -11.153 -2.503 679 2HB LEU 25 1HB LEU 25 5.507 -12.738 -2.026 680 HG LEU 25 HG LEU 25 7.502 -13.735 -3.143 681 1HD1 LEU 25 1HD2 LEU 25 8.757 -12.539 -4.518 682 2HD1 LEU 25 2HD2 LEU 25 9.203 -11.484 -3.174 683 3HD1 LEU 25 3HD2 LEU 25 7.804 -11.093 -4.174 684 1HD2 LEU 25 1HD1 LEU 25 7.390 -12.107 -0.759 685 2HD2 LEU 25 2HD1 LEU 25 9.025 -12.197 -1.414 686 3HD2 LEU 25 3HD1 LEU 25 8.149 -13.677 -1.022 687 H GLU 26 H GLU 26 7.207 -12.123 -5.686 688 HA GLU 26 HA GLU 26 7.208 -9.377 -6.176 689 1HB GLU 26 1HB GLU 26 9.140 -10.623 -6.792 690 2HB GLU 26 2HB GLU 26 8.209 -11.697 -7.835 691 1HG GLU 26 2HG GLU 26 7.788 -9.829 -9.362 692 2HG GLU 26 1HG GLU 26 8.734 -8.771 -8.317 693 H GLU 27 H GLU 27 5.222 -11.938 -7.291 694 HA GLU 27 HA GLU 27 4.097 -10.447 -9.507 695 1HB GLU 27 1HB GLU 27 4.268 -12.850 -9.733 696 2HB GLU 27 2HB GLU 27 3.348 -13.094 -8.255 697 1HG GLU 27 1HG GLU 27 1.376 -12.138 -9.305 698 2HG GLU 27 2HG GLU 27 2.291 -11.850 -10.783 699 H MET 28 H MET 28 2.886 -11.712 -6.397 700 HA MET 28 HA MET 28 0.526 -10.040 -6.590 701 1HB MET 28 1HB MET 28 1.357 -12.033 -4.482 702 2HB MET 28 2HB MET 28 -0.192 -11.205 -4.537 703 1HG MET 28 1HG MET 28 -0.690 -12.270 -6.676 704 2HG MET 28 2HG MET 28 0.866 -13.098 -6.624 705 1HE MET 28 1HE MET 28 -0.404 -15.295 -7.091 706 2HE MET 28 2HE MET 28 -2.040 -14.654 -6.947 707 3HE MET 28 3HE MET 28 -1.558 -16.061 -6.000 708 H LEU 29 H LEU 29 3.283 -10.418 -4.404 709 HA LEU 29 HA LEU 29 2.609 -8.464 -2.498 710 1HB LEU 29 1HB LEU 29 4.374 -10.155 -2.222 711 2HB LEU 29 2HB LEU 29 5.332 -9.365 -3.455 712 HG LEU 29 HG LEU 29 5.574 -7.397 -1.995 713 1HD1 LEU 29 1HD1 LEU 29 4.462 -7.107 -0.084 714 2HD1 LEU 29 2HD1 LEU 29 4.755 -8.766 0.435 715 3HD1 LEU 29 3HD1 LEU 29 3.404 -8.404 -0.641 716 1HD2 LEU 29 1HD2 LEU 29 7.336 -8.971 -1.941 717 2HD2 LEU 29 2HD2 LEU 29 6.402 -10.088 -0.946 718 3HD2 LEU 29 3HD2 LEU 29 6.982 -8.572 -0.259 719 H GLU 30 H GLU 30 4.228 -8.169 -5.623 720 HA GLU 30 HA GLU 30 5.042 -5.467 -5.323 721 1HB GLU 30 2HB GLU 30 6.089 -6.830 -7.005 722 2HB GLU 30 1HB GLU 30 4.545 -7.141 -7.786 723 1HG GLU 30 2HG GLU 30 4.373 -4.787 -8.401 724 2HG GLU 30 1HG GLU 30 5.915 -4.466 -7.607 725 H LYS 31 H LYS 31 2.086 -6.974 -6.458 726 HA LYS 31 HA LYS 31 0.980 -4.440 -7.354 727 1HB LYS 31 1HB LYS 31 -0.549 -7.015 -7.091 728 2HB LYS 31 2HB LYS 31 -0.818 -5.686 -8.215 729 1HG LYS 31 1HG LYS 31 1.515 -7.581 -8.241 730 2HG LYS 31 2HG LYS 31 0.131 -7.628 -9.336 731 1HD LYS 31 2HD LYS 31 0.741 -5.500 -10.279 732 2HD LYS 31 1HD LYS 31 2.020 -5.289 -9.080 733 1HE LYS 31 1HE LYS 31 3.218 -7.197 -9.985 734 2HE LYS 31 2HE LYS 31 1.924 -7.478 -11.154 735 1HZ LYS 31 1HZ LYS 31 2.482 -4.989 -11.755 736 2HZ LYS 31 2HZ LYS 31 3.342 -6.279 -12.432 737 3HZ LYS 31 3HZ LYS 31 3.996 -5.418 -11.132 738 H LEU 32 H LEU 32 0.910 -6.577 -4.680 739 HA LEU 32 HA LEU 32 -1.395 -5.577 -3.380 740 1HB LEU 32 2HB LEU 32 -0.407 -7.772 -2.924 741 2HB LEU 32 1HB LEU 32 1.013 -6.990 -2.260 742 HG LEU 32 HG LEU 32 -0.380 -6.011 -0.470 743 1HD1 LEU 32 1HD2 LEU 32 -2.687 -7.724 -1.127 744 2HD1 LEU 32 2HD2 LEU 32 -2.463 -6.297 -2.138 745 3HD1 LEU 32 3HD2 LEU 32 -2.629 -6.123 -0.392 746 1HD2 LEU 32 1HD1 LEU 32 -0.823 -8.978 -0.712 747 2HD2 LEU 32 2HD1 LEU 32 -0.749 -8.023 0.769 748 3HD2 LEU 32 3HD1 LEU 32 0.696 -8.233 -0.218 749 H GLU 33 H GLU 33 1.879 -4.520 -3.683 750 HA GLU 33 HA GLU 33 1.662 -2.717 -1.401 751 1HB GLU 33 1HB GLU 33 3.918 -1.980 -1.979 752 2HB GLU 33 2HB GLU 33 3.842 -3.733 -1.870 753 1HG GLU 33 1HG GLU 33 4.028 -4.002 -4.182 754 2HG GLU 33 2HG GLU 33 3.589 -2.326 -4.504 755 H VAL 34 H VAL 34 1.768 -2.558 -4.944 756 HA VAL 34 HA VAL 34 1.580 0.257 -5.107 757 HB VAL 34 HB VAL 34 0.906 -0.034 -7.423 758 1HG1 VAL 34 1HG1 VAL 34 2.933 -0.750 -8.151 759 2HG1 VAL 34 2HG1 VAL 34 2.904 -2.203 -7.151 760 3HG1 VAL 34 3HG1 VAL 34 3.301 -0.644 -6.429 761 1HG2 VAL 34 1HG2 VAL 34 -0.659 -1.797 -7.350 762 2HG2 VAL 34 2HG2 VAL 34 0.516 -2.911 -6.647 763 3HG2 VAL 34 3HG2 VAL 34 0.691 -2.384 -8.321 764 H VAL 35 H VAL 35 -0.789 -2.318 -4.772 765 HA VAL 35 HA VAL 35 -3.099 -0.875 -5.385 766 HB VAL 35 HB VAL 35 -3.129 -3.323 -4.990 767 1HG1 VAL 35 1HG1 VAL 35 -1.878 -2.679 -2.582 768 2HG1 VAL 35 2HG1 VAL 35 -2.414 -4.272 -3.119 769 3HG1 VAL 35 3HG1 VAL 35 -3.482 -3.264 -2.140 770 1HG2 VAL 35 1HG2 VAL 35 -5.130 -3.005 -3.137 771 2HG2 VAL 35 2HG2 VAL 35 -5.303 -2.850 -4.886 772 3HG2 VAL 35 3HG2 VAL 35 -5.029 -1.415 -3.896 773 H VAL 36 H VAL 36 -1.408 -1.294 -2.260 774 HA VAL 36 HA VAL 36 -3.135 0.614 -0.985 775 HB VAL 36 HB VAL 36 -0.761 0.516 0.513 776 1HG1 VAL 36 1HG2 VAL 36 -2.235 0.190 2.151 777 2HG1 VAL 36 2HG2 VAL 36 -2.912 -1.247 1.387 778 3HG1 VAL 36 3HG2 VAL 36 -3.465 0.358 0.892 779 1HG2 VAL 36 1HG1 VAL 36 -0.274 -1.779 0.853 780 2HG2 VAL 36 2HG1 VAL 36 -0.181 -1.481 -0.881 781 3HG2 VAL 36 3HG1 VAL 36 -1.596 -2.281 -0.200 782 H ASN 37 H ASN 37 0.009 0.699 -2.561 783 HA ASN 37 HA ASN 37 1.041 3.095 -1.777 784 1HB ASN 37 1HB ASN 37 2.190 1.772 -3.436 785 2HB ASN 37 2HB ASN 37 0.868 1.973 -4.584 786 1HD2 ASN 37 1HD2 ASN 37 1.368 3.286 -6.155 787 2HD2 ASN 37 2HD2 ASN 37 2.344 4.717 -6.029 788 H GLU 38 H GLU 38 -1.626 2.538 -3.992 789 HA GLU 38 HA GLU 38 -2.067 5.280 -4.633 790 1HB GLU 38 2HB GLU 38 -3.967 2.928 -4.749 791 2HB GLU 38 1HB GLU 38 -4.242 4.498 -5.493 792 1HG GLU 38 1HG GLU 38 -2.030 2.579 -6.192 793 2HG GLU 38 2HG GLU 38 -3.504 2.849 -7.122 794 H ARG 39 H ARG 39 -3.323 3.027 -2.252 795 HA ARG 39 HA ARG 39 -5.230 4.836 -1.128 796 1HB ARG 39 1HB ARG 39 -4.100 2.187 -0.251 797 2HB ARG 39 2HB ARG 39 -5.217 3.095 0.753 798 1HG ARG 39 1HG ARG 39 -6.403 1.403 -0.487 799 2HG ARG 39 2HG ARG 39 -6.889 3.008 -1.046 800 1HD ARG 39 2HD ARG 39 -5.193 2.740 -2.890 801 2HD ARG 39 1HD ARG 39 -5.042 1.058 -2.385 802 HE ARG 39 HE ARG 39 -6.978 0.617 -3.492 803 1HH1 ARG 39 1HH1 ARG 39 -6.859 4.027 -2.785 804 2HH1 ARG 39 2HH1 ARG 39 -8.329 4.385 -3.630 805 1HH2 ARG 39 1HH2 ARG 39 -8.909 1.079 -4.614 806 2HH2 ARG 39 2HH2 ARG 39 -9.493 2.707 -4.671 807 H ARG 40 H ARG 40 -2.019 3.691 -0.077 808 HA ARG 40 HA ARG 40 -1.839 4.934 2.349 809 1HB ARG 40 1HB ARG 40 0.378 4.705 0.294 810 2HB ARG 40 2HB ARG 40 0.609 5.021 2.006 811 1HG ARG 40 1HG ARG 40 -0.321 2.488 0.684 812 2HG ARG 40 2HG ARG 40 1.085 2.735 1.725 813 1HD ARG 40 2HD ARG 40 -1.822 2.761 2.528 814 2HD ARG 40 1HD ARG 40 -0.596 1.578 2.978 815 HE ARG 40 HE ARG 40 0.271 4.077 3.859 816 1HH1 ARG 40 1HH1 ARG 40 -2.303 1.815 4.484 817 2HH1 ARG 40 2HH1 ARG 40 -2.507 2.302 6.133 818 1HH2 ARG 40 1HH2 ARG 40 0.006 4.730 6.029 819 2HH2 ARG 40 2HH2 ARG 40 -1.195 3.960 7.010 820 H GLU 41 H GLU 41 -1.419 6.302 -0.864 821 HA GLU 41 HA GLU 41 -0.836 8.936 0.189 822 1HB GLU 41 1HB GLU 41 0.378 8.304 -1.756 823 2HB GLU 41 2HB GLU 41 -1.090 7.824 -2.598 824 1HG GLU 41 2HG GLU 41 -0.324 9.906 -3.484 825 2HG GLU 41 1HG GLU 41 -1.821 10.165 -2.590 826 H GLU 42 H GLU 42 -3.489 7.374 -1.619 827 HA GLU 42 HA GLU 42 -5.051 9.812 -1.577 828 1HB GLU 42 2HB GLU 42 -5.696 7.064 -2.641 829 2HB GLU 42 1HB GLU 42 -6.739 8.469 -2.805 830 1HG GLU 42 2HG GLU 42 -3.960 8.198 -3.928 831 2HG GLU 42 1HG GLU 42 -5.464 8.048 -4.836 832 H GLU 43 H GLU 43 -5.310 6.563 -0.151 833 HA GLU 43 HA GLU 43 -7.779 6.835 1.074 834 1HB GLU 43 1HB GLU 43 -5.778 4.940 1.097 835 2HB GLU 43 2HB GLU 43 -5.802 5.489 2.766 836 1HG GLU 43 1HG GLU 43 -8.134 4.383 1.218 837 2HG GLU 43 2HG GLU 43 -7.219 3.561 2.471 838 H SER 44 H SER 44 -4.563 7.652 2.372 839 HA SER 44 HA SER 44 -5.432 8.687 4.832 840 1HB SER 44 1HB SER 44 -3.064 8.206 4.361 841 2HB SER 44 2HB SER 44 -3.031 9.505 3.169 842 HG SER 44 HG SER 44 -2.813 10.903 4.720 843 H ALA 45 H ALA 45 -5.143 10.053 1.638 844 HA ALA 45 HA ALA 45 -5.620 12.757 2.228 845 1HB ALA 45 1HB ALA 45 -4.954 12.635 0.076 846 2HB ALA 45 2HB ALA 45 -6.676 12.456 -0.257 847 3HB ALA 45 3HB ALA 45 -5.645 11.025 -0.151 848 H ALA 46 H ALA 46 -7.790 10.054 1.527 849 HA ALA 46 HA ALA 46 -10.193 11.531 1.458 850 1HB ALA 46 1HB ALA 46 -9.661 8.621 2.051 851 2HB ALA 46 2HB ALA 46 -10.133 9.332 0.508 852 3HB ALA 46 3HB ALA 46 -11.273 9.310 1.853 853 H ALA 47 H ALA 47 -8.607 9.682 4.048 854 HA ALA 47 HA ALA 47 -10.530 10.104 6.041 855 1HB ALA 47 1HB ALA 47 -8.865 9.430 7.610 856 2HB ALA 47 2HB ALA 47 -7.560 9.867 6.508 857 3HB ALA 47 3HB ALA 47 -8.606 8.496 6.136 858 H ALA 48 H ALA 48 -7.781 12.069 5.026 859 HA ALA 48 HA ALA 48 -7.820 13.946 7.101 860 1HB ALA 48 1HB ALA 48 -7.105 15.164 4.590 861 2HB ALA 48 2HB ALA 48 -6.378 13.564 4.743 862 3HB ALA 48 3HB ALA 48 -6.093 14.786 5.983 863 H GLU 49 H GLU 49 -9.483 13.958 3.953 864 HA GLU 49 HA GLU 49 -10.760 16.468 4.432 865 1HB GLU 49 2HB GLU 49 -12.060 15.991 2.417 866 2HB GLU 49 1HB GLU 49 -10.348 15.694 2.156 867 1HG GLU 49 1HG GLU 49 -10.721 13.297 2.428 868 2HG GLU 49 2HG GLU 49 -12.440 13.598 2.678 869 H VAL 50 H VAL 50 -11.511 13.170 5.191 870 HA VAL 50 HA VAL 50 -14.260 13.218 5.464 871 HB VAL 50 HB VAL 50 -12.231 11.778 7.178 872 1HG1 VAL 50 1HG1 VAL 50 -15.175 11.184 6.946 873 2HG1 VAL 50 2HG1 VAL 50 -14.445 12.050 8.299 874 3HG1 VAL 50 3HG1 VAL 50 -13.993 10.375 7.975 875 1HG2 VAL 50 1HG2 VAL 50 -12.986 11.419 4.516 876 2HG2 VAL 50 2HG2 VAL 50 -13.834 10.160 5.413 877 3HG2 VAL 50 3HG2 VAL 50 -12.080 10.294 5.529 878 H GLU 51 H GLU 51 -11.803 14.428 7.716 879 HA GLU 51 HA GLU 51 -13.712 16.189 8.922 880 1HB GLU 51 2HB GLU 51 -13.785 15.320 11.124 881 2HB GLU 51 1HB GLU 51 -14.148 13.970 10.061 882 1HG GLU 51 1HG GLU 51 -11.488 14.529 11.355 883 2HG GLU 51 2HG GLU 51 -12.661 13.318 11.871 884 H GLU 52 H GLU 52 -12.767 17.851 10.050 885 HA GLU 52 HA GLU 52 -9.882 17.728 10.545 886 1HB GLU 52 2HB GLU 52 -11.210 20.048 9.124 887 2HB GLU 52 1HB GLU 52 -9.502 19.893 9.509 888 1HG GLU 52 1HG GLU 52 -9.620 19.399 7.249 889 2HG GLU 52 2HG GLU 52 -9.537 17.819 8.025 890 H ARG 53 H ARG 53 -9.909 20.656 11.089 891 HA ARG 53 HA ARG 53 -10.935 20.480 13.795 892 1HB ARG 53 2HB ARG 53 -9.399 22.686 12.408 893 2HB ARG 53 1HB ARG 53 -9.801 22.653 14.119 894 1HG ARG 53 2HG ARG 53 -8.039 20.680 12.676 895 2HG ARG 53 1HG ARG 53 -7.500 21.975 13.747 896 1HD ARG 53 1HD ARG 53 -8.687 20.942 15.610 897 2HD ARG 53 2HD ARG 53 -9.266 19.663 14.545 898 HE ARG 53 HE ARG 53 -7.291 18.603 14.906 899 1HH1 ARG 53 1HH1 ARG 53 -6.775 22.019 15.374 900 2HH1 ARG 53 2HH1 ARG 53 -5.108 21.837 15.804 901 1HH2 ARG 53 1HH2 ARG 53 -5.099 18.357 15.473 902 2HH2 ARG 53 2HH2 ARG 53 -4.156 19.756 15.859 903 H THR 54 H THR 54 -12.977 20.423 11.947 904 HA THR 54 HA THR 54 -14.465 22.803 12.699 905 HB THR 54 HB THR 54 -15.312 23.168 10.392 906 HG1 THR 54 1HG THR 54 -14.841 21.672 8.983 907 1HG2 THR 54 1HG2 THR 54 -13.613 24.668 11.154 908 2HG2 THR 54 2HG2 THR 54 -13.222 24.227 9.492 909 3HG2 THR 54 3HG2 THR 54 -12.345 23.485 10.831 910 H ARG 55 H ARG 55 -16.642 22.442 12.890 911 HA ARG 55 HA ARG 55 -17.520 19.767 13.143 912 1HB ARG 55 2HB ARG 55 -19.035 22.378 13.154 913 2HB ARG 55 1HB ARG 55 -19.789 20.825 13.480 914 1HG ARG 55 2HG ARG 55 -19.326 21.879 15.562 915 2HG ARG 55 1HG ARG 55 -18.211 20.524 15.378 916 1HD ARG 55 2HD ARG 55 -17.062 22.474 16.266 917 2HD ARG 55 1HD ARG 55 -16.455 22.067 14.661 918 HE ARG 55 HE ARG 55 -18.488 23.966 14.379 919 1HH1 ARG 55 1HH1 ARG 55 -15.261 23.709 15.668 920 2HH1 ARG 55 2HH1 ARG 55 -14.880 25.376 15.393 921 1HH2 ARG 55 1HH2 ARG 55 -17.994 26.164 14.015 922 2HH2 ARG 55 2HH2 ARG 55 -16.434 26.771 14.454 923 H LYS 56 H LYS 56 -20.240 20.842 11.898 924 HA LYS 56 HA LYS 56 -21.426 20.470 9.999 925 1HB LYS 56 2HB LYS 56 -19.855 22.168 9.080 926 2HB LYS 56 1HB LYS 56 -18.782 20.865 8.584 927 1HG LYS 56 2HG LYS 56 -20.519 19.996 7.101 928 2HG LYS 56 1HG LYS 56 -21.593 21.307 7.597 929 1HD LYS 56 2HD LYS 56 -20.010 22.944 6.708 930 2HD LYS 56 1HD LYS 56 -18.928 21.638 6.221 931 1HE LYS 56 1HE LYS 56 -20.660 20.767 4.725 932 2HE LYS 56 2HE LYS 56 -21.733 22.079 5.207 933 1HZ LYS 56 1HZ LYS 56 -20.597 23.586 3.984 934 2HZ LYS 56 2HZ LYS 56 -20.219 22.217 3.065 935 3HZ LYS 56 3HZ LYS 56 -19.102 22.817 4.185 936 H LEU 57 H LEU 57 -20.918 18.231 11.300 937 HA LEU 57 HA LEU 57 -21.023 16.230 9.305 938 1HB LEU 57 2HB LEU 57 -18.602 16.583 9.253 939 2HB LEU 57 1HB LEU 57 -18.513 16.303 10.982 940 HG LEU 57 HG LEU 57 -19.276 13.974 10.621 941 1HD1 LEU 57 1HD1 LEU 57 -19.743 13.074 8.569 942 2HD1 LEU 57 2HD1 LEU 57 -18.765 14.259 7.702 943 3HD1 LEU 57 3HD1 LEU 57 -20.345 14.716 8.338 944 1HD2 LEU 57 1HD2 LEU 57 -16.919 14.434 8.842 945 2HD2 LEU 57 2HD2 LEU 57 -17.191 13.166 10.036 946 3HD2 LEU 57 3HD2 LEU 57 -16.826 14.809 10.563 Start of MODEL 15 1 H SER 1 1HT SER 1 3.018 5.208 0.567 2 HA SER 1 HA SER 1 5.818 4.857 -0.307 3 1HB SER 1 1HB SER 1 6.248 6.313 1.647 4 2HB SER 1 2HB SER 1 5.165 7.083 0.487 5 HG SER 1 HG SER 1 4.692 6.264 3.072 6 H GLU 2 H GLU 2 3.471 4.121 2.255 7 HA GLU 2 HA GLU 2 5.301 2.512 3.747 8 1HB GLU 2 2HB GLU 2 3.418 3.643 4.837 9 2HB GLU 2 1HB GLU 2 2.285 2.683 3.894 10 1HG GLU 2 1HG GLU 2 3.070 0.656 4.976 11 2HG GLU 2 2HG GLU 2 4.253 1.587 5.892 12 H ALA 3 H ALA 3 3.046 1.963 1.171 13 HA ALA 3 HA ALA 3 2.925 -0.892 1.455 14 1HB ALA 3 1HB ALA 3 1.155 0.498 0.356 15 2HB ALA 3 2HB ALA 3 1.702 -0.880 -0.600 16 3HB ALA 3 3HB ALA 3 2.267 0.744 -0.990 17 H LEU 4 H LEU 4 5.030 1.367 0.110 18 HA LEU 4 HA LEU 4 6.334 -0.389 -1.758 19 1HB LEU 4 2HB LEU 4 6.931 2.384 -0.724 20 2HB LEU 4 1HB LEU 4 7.861 1.590 -1.980 21 HG LEU 4 HG LEU 4 6.121 1.785 -3.551 22 1HD1 LEU 4 1HD2 LEU 4 4.306 2.258 -1.201 23 2HD1 LEU 4 2HD2 LEU 4 4.203 1.006 -2.439 24 3HD1 LEU 4 3HD2 LEU 4 3.842 2.681 -2.850 25 1HD2 LEU 4 1HD1 LEU 4 7.032 4.032 -2.143 26 2HD2 LEU 4 2HD1 LEU 4 5.317 4.305 -2.467 27 3HD2 LEU 4 3HD1 LEU 4 6.425 3.963 -3.800 28 H LYS 5 H LYS 5 7.027 1.171 1.328 29 HA LYS 5 HA LYS 5 9.554 -0.152 1.654 30 1HB LYS 5 2HB LYS 5 9.218 2.128 2.488 31 2HB LYS 5 1HB LYS 5 7.968 1.548 3.584 32 1HG LYS 5 2HG LYS 5 10.159 1.932 4.671 33 2HG LYS 5 1HG LYS 5 9.564 0.274 4.834 34 1HD LYS 5 2HD LYS 5 10.997 -0.417 2.975 35 2HD LYS 5 1HD LYS 5 11.600 1.235 2.825 36 1HE LYS 5 1HE LYS 5 13.173 -0.158 4.062 37 2HE LYS 5 2HE LYS 5 12.514 1.117 5.088 38 1HZ LYS 5 1HZ LYS 5 12.635 -1.416 5.835 39 2HZ LYS 5 2HZ LYS 5 11.105 -1.431 5.114 40 3HZ LYS 5 3HZ LYS 5 11.430 -0.360 6.381 41 H ILE 6 H ILE 6 6.267 -0.772 2.562 42 HA ILE 6 HA ILE 6 6.550 -2.326 4.838 43 HB ILE 6 HB ILE 6 4.352 -1.714 3.896 44 1HG1 ILE 6 1HG1 ILE 6 4.882 -4.677 4.179 45 2HG1 ILE 6 2HG1 ILE 6 4.343 -3.562 5.437 46 1HG2 ILE 6 1HG2 ILE 6 3.491 -2.575 1.916 47 2HG2 ILE 6 2HG2 ILE 6 4.713 -3.842 1.825 48 3HG2 ILE 6 3HG2 ILE 6 5.159 -2.164 1.516 49 1HD1 ILE 6 1HD1 ILE 6 2.350 -4.484 4.937 50 2HD1 ILE 6 2HD1 ILE 6 2.828 -4.892 3.286 51 3HD1 ILE 6 3HD1 ILE 6 2.362 -3.237 3.688 52 H LEU 7 H LEU 7 6.743 -3.165 1.440 53 HA LEU 7 HA LEU 7 7.849 -5.770 2.144 54 1HB LEU 7 2HB LEU 7 6.779 -6.641 0.360 55 2HB LEU 7 1HB LEU 7 5.793 -5.197 0.487 56 HG LEU 7 HG LEU 7 7.618 -4.224 -1.169 57 1HD1 LEU 7 1HD1 LEU 7 9.045 -5.728 -1.955 58 2HD1 LEU 7 2HD1 LEU 7 7.683 -6.594 -2.674 59 3HD1 LEU 7 3HD1 LEU 7 8.243 -7.015 -1.054 60 1HD2 LEU 7 1HD2 LEU 7 5.033 -5.440 -1.406 61 2HD2 LEU 7 2HD2 LEU 7 5.979 -5.736 -2.866 62 3HD2 LEU 7 3HD2 LEU 7 5.718 -4.084 -2.303 63 H ASN 8 H ASN 8 8.650 -2.692 1.216 64 HA ASN 8 HA ASN 8 10.567 -1.683 0.520 65 1HB ASN 8 2HB ASN 8 11.494 -3.332 2.251 66 2HB ASN 8 1HB ASN 8 11.971 -4.330 0.879 67 1HD2 ASN 8 1HD2 ASN 8 13.044 -2.125 3.012 68 2HD2 ASN 8 2HD2 ASN 8 14.356 -1.435 2.103 69 H ASN 9 H ASN 9 8.826 -2.856 -1.394 70 HA ASN 9 HA ASN 9 8.670 -3.295 -3.613 71 1HB ASN 9 1HB ASN 9 11.522 -2.284 -3.637 72 2HB ASN 9 2HB ASN 9 10.500 -2.490 -5.056 73 1HD2 ASN 9 1HD2 ASN 9 8.498 -1.496 -2.607 74 2HD2 ASN 9 2HD2 ASN 9 8.534 0.202 -2.906 75 H ILE 10 H ILE 10 8.640 -5.165 -4.631 76 HA ILE 10 HA ILE 10 9.900 -7.463 -3.755 77 HB ILE 10 HB ILE 10 9.242 -8.479 -5.893 78 1HG1 ILE 10 1HG1 ILE 10 8.453 -5.644 -6.610 79 2HG1 ILE 10 2HG1 ILE 10 9.725 -6.592 -7.375 80 1HG2 ILE 10 1HG2 ILE 10 7.383 -8.696 -4.684 81 2HG2 ILE 10 2HG2 ILE 10 6.751 -7.325 -5.599 82 3HG2 ILE 10 3HG2 ILE 10 7.520 -7.061 -4.034 83 1HD1 ILE 10 1HD1 ILE 10 7.108 -7.883 -7.385 84 2HD1 ILE 10 2HD1 ILE 10 8.285 -7.676 -8.685 85 3HD1 ILE 10 3HD1 ILE 10 7.176 -6.364 -8.278 86 H ARG 11 H ARG 11 11.145 -4.995 -5.854 87 HA ARG 11 HA ARG 11 13.097 -6.515 -7.206 88 1HB ARG 11 2HB ARG 11 14.221 -4.328 -7.588 89 2HB ARG 11 1HB ARG 11 12.513 -4.315 -7.998 90 1HG ARG 11 1HG ARG 11 12.017 -3.214 -5.862 91 2HG ARG 11 2HG ARG 11 13.742 -3.199 -5.485 92 1HD ARG 11 2HD ARG 11 12.423 -1.834 -7.828 93 2HD ARG 11 1HD ARG 11 13.022 -1.046 -6.370 94 HE ARG 11 HE ARG 11 15.134 -2.474 -7.493 95 1HH1 ARG 11 1HH1 ARG 11 13.104 0.248 -8.266 96 2HH1 ARG 11 2HH1 ARG 11 14.314 1.044 -9.216 97 1HH2 ARG 11 1HH2 ARG 11 16.733 -1.434 -8.740 98 2HH2 ARG 11 2HH2 ARG 11 16.376 0.090 -9.485 99 H THR 12 H THR 12 13.345 -4.519 -4.263 100 HA THR 12 HA THR 12 16.041 -5.308 -3.726 101 HB THR 12 HB THR 12 14.003 -3.992 -1.917 102 HG1 THR 12 1HG THR 12 15.804 -3.064 -3.838 103 1HG2 THR 12 1HG2 THR 12 16.367 -3.221 -0.920 104 2HG2 THR 12 2HG2 THR 12 16.819 -4.818 -1.516 105 3HG2 THR 12 3HG2 THR 12 15.508 -4.652 -0.347 106 H LEU 13 H LEU 13 12.857 -6.300 -2.615 107 HA LEU 13 HA LEU 13 13.674 -7.994 -0.530 108 1HB LEU 13 1HB LEU 13 11.371 -7.179 -0.825 109 2HB LEU 13 2HB LEU 13 11.209 -8.164 -2.265 110 HG LEU 13 HG LEU 13 11.738 -9.333 0.467 111 1HD1 LEU 13 1HD1 LEU 13 9.464 -9.611 0.824 112 2HD1 LEU 13 2HD1 LEU 13 9.060 -9.316 -0.867 113 3HD1 LEU 13 3HD1 LEU 13 9.559 -7.977 0.167 114 1HD2 LEU 13 1HD2 LEU 13 10.806 -11.370 -0.613 115 2HD2 LEU 13 2HD2 LEU 13 12.332 -10.826 -1.315 116 3HD2 LEU 13 3HD2 LEU 13 10.809 -10.504 -2.149 117 H ARG 14 H ARG 14 12.853 -8.715 -3.908 118 HA ARG 14 HA ARG 14 13.104 -11.412 -4.014 119 1HB ARG 14 2HB ARG 14 12.526 -10.062 -5.959 120 2HB ARG 14 1HB ARG 14 14.153 -9.401 -6.015 121 1HG ARG 14 2HG ARG 14 13.902 -11.070 -7.721 122 2HG ARG 14 1HG ARG 14 15.022 -11.659 -6.490 123 1HD ARG 14 2HD ARG 14 13.220 -12.960 -5.476 124 2HD ARG 14 1HD ARG 14 12.102 -12.371 -6.705 125 HE ARG 14 HE ARG 14 13.866 -14.548 -6.967 126 1HH1 ARG 14 1HH1 ARG 14 12.671 -11.809 -8.766 127 2HH1 ARG 14 2HH1 ARG 14 12.910 -12.557 -10.308 128 1HH2 ARG 14 1HH2 ARG 14 14.184 -15.536 -8.996 129 2HH2 ARG 14 2HH2 ARG 14 13.770 -14.674 -10.440 130 H ALA 15 H ALA 15 15.680 -9.067 -3.783 131 HA ALA 15 HA ALA 15 17.768 -11.035 -4.128 132 1HB ALA 15 1HB ALA 15 19.291 -9.226 -3.911 133 2HB ALA 15 2HB ALA 15 18.041 -8.189 -3.222 134 3HB ALA 15 3HB ALA 15 17.947 -8.678 -4.914 135 H GLN 16 H GLN 16 16.582 -8.991 -1.456 136 HA GLN 16 HA GLN 16 18.432 -9.954 0.452 137 1HB GLN 16 1HB GLN 16 17.186 -8.804 2.074 138 2HB GLN 16 2HB GLN 16 16.875 -7.892 0.603 139 1HG GLN 16 1HG GLN 16 14.746 -9.050 0.331 140 2HG GLN 16 2HG GLN 16 15.056 -9.972 1.798 141 1HE2 GLN 16 1HE2 GLN 16 13.183 -7.673 0.739 142 2HE2 GLN 16 2HE2 GLN 16 13.068 -6.645 2.131 143 H ALA 17 H ALA 17 15.348 -11.036 -0.641 144 HA ALA 17 HA ALA 17 15.116 -13.129 1.339 145 1HB ALA 17 1HB ALA 17 13.135 -13.669 -0.368 146 2HB ALA 17 2HB ALA 17 13.388 -11.960 -0.747 147 3HB ALA 17 3HB ALA 17 13.007 -12.452 0.904 148 H ARG 18 H ARG 18 16.358 -12.658 -1.822 149 HA ARG 18 HA ARG 18 16.112 -15.072 -3.080 150 1HB ARG 18 2HB ARG 18 17.342 -13.128 -4.002 151 2HB ARG 18 1HB ARG 18 18.663 -13.453 -2.891 152 1HG ARG 18 2HG ARG 18 19.206 -14.294 -5.080 153 2HG ARG 18 1HG ARG 18 18.997 -15.642 -3.960 154 1HD ARG 18 2HD ARG 18 16.722 -15.981 -4.804 155 2HD ARG 18 1HD ARG 18 16.945 -14.645 -5.933 156 HE ARG 18 HE ARG 18 18.994 -16.519 -6.333 157 1HH1 ARG 18 1HH1 ARG 18 15.552 -16.187 -6.765 158 2HH1 ARG 18 2HH1 ARG 18 15.485 -17.289 -8.099 159 1HH2 ARG 18 1HH2 ARG 18 18.914 -17.970 -8.088 160 2HH2 ARG 18 2HH2 ARG 18 17.395 -18.302 -8.852 161 H GLU 19 H GLU 19 17.998 -14.289 -0.267 162 HA GLU 19 HA GLU 19 19.321 -16.885 -0.254 163 1HB GLU 19 1HB GLU 19 20.472 -16.050 1.751 164 2HB GLU 19 2HB GLU 19 20.631 -14.940 0.396 165 1HG GLU 19 1HG GLU 19 18.872 -13.532 1.339 166 2HG GLU 19 2HG GLU 19 18.718 -14.643 2.701 167 H SER 20 H SER 20 16.409 -16.811 0.020 168 HA SER 20 HA SER 20 16.186 -18.569 2.260 169 1HB SER 20 1HB SER 20 14.534 -17.260 3.539 170 2HB SER 20 2HB SER 20 16.094 -16.441 3.471 171 HG SER 20 HG SER 20 15.139 -14.836 2.536 172 H THR 21 H THR 21 13.382 -18.286 2.665 173 HA THR 21 HA THR 21 12.422 -19.358 0.111 174 HB THR 21 HB THR 21 10.517 -20.251 1.490 175 HG1 THR 21 1HG THR 21 11.965 -20.021 3.824 176 1HG2 THR 21 1HG2 THR 21 12.481 -21.648 2.906 177 2HG2 THR 21 2HG2 THR 21 13.268 -21.118 1.420 178 3HG2 THR 21 3HG2 THR 21 11.790 -22.076 1.342 179 H LEU 22 H LEU 22 9.786 -19.121 0.209 180 HA LEU 22 HA LEU 22 9.348 -16.387 -0.415 181 1HB LEU 22 1HB LEU 22 7.574 -17.155 -1.527 182 2HB LEU 22 2HB LEU 22 8.137 -18.761 -1.110 183 HG LEU 22 HG LEU 22 6.217 -17.214 0.611 184 1HD1 LEU 22 1HD1 LEU 22 5.675 -19.066 -1.687 185 2HD1 LEU 22 2HD1 LEU 22 5.079 -17.423 -1.438 186 3HD1 LEU 22 3HD1 LEU 22 4.491 -18.740 -0.421 187 1HD2 LEU 22 1HD2 LEU 22 7.634 -19.304 1.362 188 2HD2 LEU 22 2HD2 LEU 22 6.355 -20.171 0.507 189 3HD2 LEU 22 3HD2 LEU 22 5.950 -19.095 1.847 190 H GLU 23 H GLU 23 9.261 -18.153 2.452 191 HA GLU 23 HA GLU 23 7.222 -17.279 3.973 192 1HB GLU 23 1HB GLU 23 8.694 -17.367 5.922 193 2HB GLU 23 2HB GLU 23 9.026 -18.700 4.827 194 1HG GLU 23 1HG GLU 23 11.134 -18.008 5.436 195 2HG GLU 23 2HG GLU 23 10.889 -17.189 3.896 196 H THR 24 H THR 24 9.796 -15.328 2.701 197 HA THR 24 HA THR 24 9.634 -13.072 4.323 198 HB THR 24 HB THR 24 11.398 -13.234 2.696 199 HG1 THR 24 1HG THR 24 11.272 -11.126 2.769 200 1HG2 THR 24 1HG2 THR 24 10.857 -12.890 0.255 201 2HG2 THR 24 2HG2 THR 24 9.172 -13.208 0.668 202 3HG2 THR 24 3HG2 THR 24 10.392 -14.456 0.923 203 H LEU 25 H LEU 25 7.670 -13.995 1.505 204 HA LEU 25 HA LEU 25 6.157 -11.602 1.501 205 1HB LEU 25 1HB LEU 25 4.475 -12.971 0.171 206 2HB LEU 25 2HB LEU 25 6.056 -12.723 -0.526 207 HG LEU 25 HG LEU 25 6.679 -15.030 0.169 208 1HD1 LEU 25 1HD2 LEU 25 4.105 -16.158 0.447 209 2HD1 LEU 25 2HD2 LEU 25 4.242 -14.863 1.634 210 3HD1 LEU 25 3HD2 LEU 25 5.440 -16.165 1.606 211 1HD2 LEU 25 1HD1 LEU 25 4.674 -14.271 -1.819 212 2HD2 LEU 25 2HD1 LEU 25 4.684 -15.987 -1.418 213 3HD2 LEU 25 3HD1 LEU 25 6.155 -15.208 -1.999 214 H GLU 26 H GLU 26 5.666 -14.781 3.022 215 HA GLU 26 HA GLU 26 3.098 -14.291 3.986 216 1HB GLU 26 2HB GLU 26 3.978 -16.489 4.259 217 2HB GLU 26 1HB GLU 26 5.369 -15.898 5.166 218 1HG GLU 26 2HG GLU 26 3.893 -15.255 7.004 219 2HG GLU 26 1HG GLU 26 2.503 -15.842 6.091 220 H GLU 27 H GLU 27 6.179 -13.032 4.827 221 HA GLU 27 HA GLU 27 5.300 -11.851 7.321 222 1HB GLU 27 2HB GLU 27 7.594 -12.559 7.199 223 2HB GLU 27 1HB GLU 27 7.859 -11.620 5.736 224 1HG GLU 27 1HG GLU 27 7.617 -9.562 6.960 225 2HG GLU 27 2HG GLU 27 7.212 -10.447 8.431 226 H MET 28 H MET 28 6.278 -10.670 4.103 227 HA MET 28 HA MET 28 5.356 -7.996 4.744 228 1HB MET 28 2HB MET 28 6.515 -9.040 2.160 229 2HB MET 28 1HB MET 28 6.294 -7.352 2.602 230 1HG MET 28 1HG MET 28 8.167 -9.324 3.888 231 2HG MET 28 2HG MET 28 8.604 -7.968 2.850 232 1HE MET 28 1HE MET 28 9.870 -7.415 6.519 233 2HE MET 28 2HE MET 28 10.293 -6.567 5.032 234 3HE MET 28 3HE MET 28 10.137 -8.323 5.032 235 H LEU 29 H LEU 29 4.600 -10.517 2.381 236 HA LEU 29 HA LEU 29 2.542 -9.238 0.975 237 1HB LEU 29 1HB LEU 29 3.699 -11.375 0.371 238 2HB LEU 29 2HB LEU 29 2.769 -12.186 1.614 239 HG LEU 29 HG LEU 29 0.695 -11.658 0.382 240 1HD1 LEU 29 1HD1 LEU 29 2.553 -10.669 -1.778 241 2HD1 LEU 29 2HD1 LEU 29 1.528 -9.640 -0.778 242 3HD1 LEU 29 3HD1 LEU 29 0.798 -10.809 -1.880 243 1HD2 LEU 29 1HD2 LEU 29 1.074 -13.249 -1.441 244 2HD2 LEU 29 2HD2 LEU 29 1.816 -13.796 0.063 245 3HD2 LEU 29 3HD2 LEU 29 2.815 -13.094 -1.209 246 H GLU 30 H GLU 30 2.438 -11.081 3.990 247 HA GLU 30 HA GLU 30 -0.375 -11.162 4.255 248 1HB GLU 30 1HB GLU 30 1.002 -12.654 5.557 249 2HB GLU 30 2HB GLU 30 1.809 -11.299 6.336 250 1HG GLU 30 2HG GLU 30 -0.318 -10.663 7.388 251 2HG GLU 30 1HG GLU 30 -1.086 -12.065 6.645 252 H LYS 31 H LYS 31 2.035 -8.773 5.180 253 HA LYS 31 HA LYS 31 0.084 -7.197 6.637 254 1HB LYS 31 2HB LYS 31 2.887 -6.364 5.921 255 2HB LYS 31 1HB LYS 31 1.893 -5.807 7.264 256 1HG LYS 31 2HG LYS 31 3.050 -8.558 6.920 257 2HG LYS 31 1HG LYS 31 3.620 -7.319 8.042 258 1HD LYS 31 2HD LYS 31 1.512 -7.407 9.246 259 2HD LYS 31 1HD LYS 31 0.870 -8.565 8.078 260 1HE LYS 31 2HE LYS 31 1.594 -9.693 10.112 261 2HE LYS 31 1HE LYS 31 2.578 -10.183 8.733 262 1HZ LYS 31 1HZ LYS 31 3.673 -7.929 10.114 263 2HZ LYS 31 2HZ LYS 31 4.404 -9.394 9.696 264 3HZ LYS 31 3HZ LYS 31 3.509 -9.275 11.127 265 H LEU 32 H LEU 32 1.522 -7.381 3.538 266 HA LEU 32 HA LEU 32 0.920 -4.750 2.652 267 1HB LEU 32 1HB LEU 32 2.602 -6.370 1.682 268 2HB LEU 32 2HB LEU 32 1.242 -7.208 0.956 269 HG LEU 32 HG LEU 32 0.665 -5.312 -0.381 270 1HD1 LEU 32 1HD2 LEU 32 2.642 -3.423 -0.088 271 2HD1 LEU 32 2HD2 LEU 32 2.273 -3.881 1.575 272 3HD1 LEU 32 3HD2 LEU 32 0.989 -3.299 0.516 273 1HD2 LEU 32 1HD1 LEU 32 2.544 -5.210 -1.817 274 2HD2 LEU 32 2HD1 LEU 32 2.555 -6.809 -1.076 275 3HD2 LEU 32 3HD1 LEU 32 3.657 -5.561 -0.497 276 H GLU 33 H GLU 33 -0.800 -7.715 2.971 277 HA GLU 33 HA GLU 33 -2.976 -6.843 1.254 278 1HB GLU 33 1HB GLU 33 -4.039 -8.943 1.764 279 2HB GLU 33 2HB GLU 33 -2.349 -9.242 1.387 280 1HG GLU 33 1HG GLU 33 -1.814 -9.581 3.683 281 2HG GLU 33 2HG GLU 33 -3.404 -9.016 4.196 282 H VAL 34 H VAL 34 -2.186 -7.029 4.677 283 HA VAL 34 HA VAL 34 -4.817 -6.352 5.565 284 HB VAL 34 HB VAL 34 -3.880 -6.002 7.762 285 1HG1 VAL 34 1HG1 VAL 34 -4.004 -8.363 6.492 286 2HG1 VAL 34 2HG1 VAL 34 -3.558 -8.188 8.189 287 3HG1 VAL 34 3HG1 VAL 34 -2.303 -8.355 6.960 288 1HG2 VAL 34 1HG2 VAL 34 -1.874 -4.825 7.333 289 2HG2 VAL 34 2HG2 VAL 34 -1.219 -6.154 6.379 290 3HG2 VAL 34 3HG2 VAL 34 -1.419 -6.334 8.122 291 H VAL 35 H VAL 35 -1.857 -4.532 4.844 292 HA VAL 35 HA VAL 35 -2.621 -2.036 5.844 293 HB VAL 35 HB VAL 35 -1.255 -1.005 4.023 294 1HG1 VAL 35 1HG2 VAL 35 0.278 -1.295 5.595 295 2HG1 VAL 35 2HG2 VAL 35 0.829 -2.661 4.623 296 3HG1 VAL 35 3HG2 VAL 35 -0.281 -2.928 5.973 297 1HG2 VAL 35 1HG1 VAL 35 0.025 -2.474 2.526 298 2HG2 VAL 35 2HG1 VAL 35 -1.713 -2.537 2.229 299 3HG2 VAL 35 3HG1 VAL 35 -0.919 -3.848 3.104 300 H VAL 36 H VAL 36 -3.233 -3.577 2.736 301 HA VAL 36 HA VAL 36 -5.009 -1.438 1.948 302 HB VAL 36 HB VAL 36 -3.466 -2.623 0.338 303 1HG1 VAL 36 1HG1 VAL 36 -3.567 -4.830 0.236 304 2HG1 VAL 36 2HG1 VAL 36 -5.099 -4.631 -0.616 305 3HG1 VAL 36 3HG1 VAL 36 -5.085 -4.866 1.132 306 1HG2 VAL 36 1HG2 VAL 36 -6.280 -1.886 -0.035 307 2HG2 VAL 36 2HG2 VAL 36 -5.520 -2.770 -1.362 308 3HG2 VAL 36 3HG2 VAL 36 -4.821 -1.253 -0.797 309 H ASN 37 H ASN 37 -5.237 -4.453 3.565 310 HA ASN 37 HA ASN 37 -7.796 -5.306 2.818 311 1HB ASN 37 2HB ASN 37 -6.236 -6.535 4.356 312 2HB ASN 37 1HB ASN 37 -6.637 -5.375 5.617 313 1HD2 ASN 37 1HD2 ASN 37 -7.233 -8.375 4.624 314 2HD2 ASN 37 2HD2 ASN 37 -8.850 -8.592 5.219 315 H GLU 38 H GLU 38 -6.722 -2.946 5.168 316 HA GLU 38 HA GLU 38 -9.369 -2.251 6.024 317 1HB GLU 38 2HB GLU 38 -8.177 -0.277 7.087 318 2HB GLU 38 1HB GLU 38 -7.678 -1.874 7.624 319 1HG GLU 38 1HG GLU 38 -5.727 -1.759 6.171 320 2HG GLU 38 2HG GLU 38 -6.230 -0.162 5.622 321 H ARG 39 H ARG 39 -7.033 -0.959 3.721 322 HA ARG 39 HA ARG 39 -8.544 1.367 3.042 323 1HB ARG 39 1HB ARG 39 -6.280 -0.124 1.740 324 2HB ARG 39 2HB ARG 39 -7.088 1.184 0.895 325 1HG ARG 39 1HG ARG 39 -5.018 1.887 2.001 326 2HG ARG 39 2HG ARG 39 -6.437 2.760 2.583 327 1HD ARG 39 1HD ARG 39 -5.492 0.318 4.003 328 2HD ARG 39 2HD ARG 39 -4.659 1.850 4.255 329 HE ARG 39 HE ARG 39 -7.107 1.068 5.404 330 1HH1 ARG 39 1HH1 ARG 39 -5.608 3.838 3.913 331 2HH1 ARG 39 2HH1 ARG 39 -6.536 4.987 4.819 332 1HH2 ARG 39 1HH2 ARG 39 -8.326 2.570 6.604 333 2HH2 ARG 39 2HH2 ARG 39 -8.079 4.267 6.349 334 H ARG 40 H ARG 40 -8.012 -1.706 1.395 335 HA ARG 40 HA ARG 40 -9.608 -1.506 -0.792 336 1HB ARG 40 2HB ARG 40 -8.790 -3.755 0.956 337 2HB ARG 40 1HB ARG 40 -10.175 -4.067 -0.082 338 1HG ARG 40 2HG ARG 40 -7.414 -3.238 -0.950 339 2HG ARG 40 1HG ARG 40 -8.160 -4.829 -1.152 340 1HD ARG 40 1HD ARG 40 -9.057 -2.240 -2.427 341 2HD ARG 40 2HD ARG 40 -8.238 -3.576 -3.234 342 HE ARG 40 HE ARG 40 -10.570 -4.565 -2.054 343 1HH1 ARG 40 1HH1 ARG 40 -9.610 -2.398 -4.606 344 2HH1 ARG 40 2HH1 ARG 40 -11.029 -2.683 -5.558 345 1HH2 ARG 40 1HH2 ARG 40 -12.441 -4.948 -3.299 346 2HH2 ARG 40 2HH2 ARG 40 -12.639 -4.132 -4.814 347 H GLU 41 H GLU 41 -10.653 -2.194 2.523 348 HA GLU 41 HA GLU 41 -13.412 -2.472 1.739 349 1HB GLU 41 1HB GLU 41 -12.649 -3.858 3.514 350 2HB GLU 41 2HB GLU 41 -12.004 -2.483 4.398 351 1HG GLU 41 2HG GLU 41 -14.022 -3.210 5.445 352 2HG GLU 41 1HG GLU 41 -14.287 -1.641 4.688 353 H GLU 42 H GLU 42 -11.562 -0.060 3.631 354 HA GLU 42 HA GLU 42 -13.896 1.612 3.946 355 1HB GLU 42 2HB GLU 42 -11.002 2.111 4.661 356 2HB GLU 42 1HB GLU 42 -12.351 3.145 5.116 357 1HG GLU 42 1HG GLU 42 -13.322 1.322 6.411 358 2HG GLU 42 2HG GLU 42 -11.979 0.277 5.948 359 H GLU 43 H GLU 43 -10.910 1.736 2.107 360 HA GLU 43 HA GLU 43 -11.103 4.286 1.045 361 1HB GLU 43 1HB GLU 43 -9.111 2.903 0.838 362 2HB GLU 43 2HB GLU 43 -9.968 1.808 -0.232 363 1HG GLU 43 1HG GLU 43 -8.436 3.372 -1.371 364 2HG GLU 43 2HG GLU 43 -10.100 3.441 -1.944 365 H SER 44 H SER 44 -12.346 1.223 -0.286 366 HA SER 44 HA SER 44 -13.478 2.262 -2.620 367 1HB SER 44 2HB SER 44 -13.318 -0.163 -2.185 368 2HB SER 44 1HB SER 44 -14.504 -0.012 -0.890 369 HG SER 44 HG SER 44 -15.645 -0.631 -2.653 370 H ALA 45 H ALA 45 -14.528 2.172 0.685 371 HA ALA 45 HA ALA 45 -17.176 3.115 0.319 372 1HB ALA 45 1HB ALA 45 -17.030 2.227 2.395 373 2HB ALA 45 2HB ALA 45 -16.571 3.870 2.843 374 3HB ALA 45 3HB ALA 45 -15.323 2.648 2.568 375 H ALA 46 H ALA 46 -14.065 4.670 0.963 376 HA ALA 46 HA ALA 46 -14.988 7.289 1.369 377 1HB ALA 46 1HB ALA 46 -12.338 6.479 0.171 378 2HB ALA 46 2HB ALA 46 -12.696 6.458 1.898 379 3HB ALA 46 3HB ALA 46 -12.714 7.983 1.013 380 H ALA 47 H ALA 47 -14.040 5.552 -1.553 381 HA ALA 47 HA ALA 47 -14.274 7.786 -3.297 382 1HB ALA 47 1HB ALA 47 -13.735 4.926 -3.547 383 2HB ALA 47 2HB ALA 47 -13.051 6.292 -4.427 384 3HB ALA 47 3HB ALA 47 -14.604 5.614 -4.918 385 H ALA 48 H ALA 48 -16.441 5.099 -2.492 386 HA ALA 48 HA ALA 48 -18.488 5.774 -4.304 387 1HB ALA 48 1HB ALA 48 -18.501 3.586 -3.443 388 2HB ALA 48 2HB ALA 48 -19.924 4.369 -2.755 389 3HB ALA 48 3HB ALA 48 -18.474 4.155 -1.774 390 H GLU 49 H GLU 49 -18.053 6.585 -0.869 391 HA GLU 49 HA GLU 49 -20.500 7.937 -0.560 392 1HB GLU 49 2HB GLU 49 -19.562 8.864 1.479 393 2HB GLU 49 1HB GLU 49 -19.149 7.162 1.339 394 1HG GLU 49 1HG GLU 49 -16.913 7.741 0.600 395 2HG GLU 49 2HG GLU 49 -17.320 9.455 0.670 396 H VAL 50 H VAL 50 -17.327 9.062 -1.619 397 HA VAL 50 HA VAL 50 -18.599 11.531 -2.546 398 HB VAL 50 HB VAL 50 -16.019 11.524 -0.971 399 1HG1 VAL 50 1HG2 VAL 50 -15.900 13.824 -1.291 400 2HG1 VAL 50 2HG2 VAL 50 -17.595 13.944 -1.767 401 3HG1 VAL 50 3HG2 VAL 50 -16.417 13.230 -2.869 402 1HG2 VAL 50 1HG1 VAL 50 -18.585 11.361 0.032 403 2HG2 VAL 50 2HG1 VAL 50 -18.225 13.086 0.095 404 3HG2 VAL 50 3HG1 VAL 50 -17.161 11.933 0.900 405 H GLU 51 H GLU 51 -18.351 10.290 -4.571 406 HA GLU 51 HA GLU 51 -15.868 9.557 -5.645 407 1HB GLU 51 2HB GLU 51 -18.354 10.478 -7.104 408 2HB GLU 51 1HB GLU 51 -17.002 9.624 -7.834 409 1HG GLU 51 1HG GLU 51 -17.454 7.688 -6.420 410 2HG GLU 51 2HG GLU 51 -18.810 8.544 -5.684 411 H GLU 52 H GLU 52 -17.783 12.515 -6.171 412 HA GLU 52 HA GLU 52 -15.655 14.302 -6.057 413 1HB GLU 52 1HB GLU 52 -14.889 13.109 -8.101 414 2HB GLU 52 2HB GLU 52 -16.383 13.571 -8.902 415 1HG GLU 52 1HG GLU 52 -14.383 15.538 -7.819 416 2HG GLU 52 2HG GLU 52 -14.403 14.962 -9.484 417 H ARG 53 H ARG 53 -18.535 13.692 -8.062 418 HA ARG 53 HA ARG 53 -19.405 16.425 -7.891 419 1HB ARG 53 1HB ARG 53 -19.863 15.067 -9.880 420 2HB ARG 53 2HB ARG 53 -20.830 13.962 -8.913 421 1HG ARG 53 2HG ARG 53 -22.409 15.777 -8.435 422 2HG ARG 53 1HG ARG 53 -21.446 16.862 -9.441 423 1HD ARG 53 1HD ARG 53 -21.832 15.399 -11.371 424 2HD ARG 53 2HD ARG 53 -22.810 14.335 -10.363 425 HE ARG 53 HE ARG 53 -24.553 15.736 -10.753 426 1HH1 ARG 53 1HH1 ARG 53 -21.609 17.580 -11.046 427 2HH1 ARG 53 2HH1 ARG 53 -22.423 19.051 -11.464 428 1HH2 ARG 53 1HH2 ARG 53 -25.628 17.667 -11.306 429 2HH2 ARG 53 2HH2 ARG 53 -24.705 19.100 -11.611 430 H THR 54 H THR 54 -20.461 13.339 -6.500 431 HA THR 54 HA THR 54 -22.723 14.258 -5.156 432 HB THR 54 HB THR 54 -22.284 11.879 -5.402 433 HG1 THR 54 1HG THR 54 -22.242 12.523 -2.629 434 1HG2 THR 54 1HG2 THR 54 -19.714 12.451 -4.674 435 2HG2 THR 54 2HG2 THR 54 -20.406 10.829 -4.744 436 3HG2 THR 54 3HG2 THR 54 -20.346 11.698 -3.209 437 H ARG 55 H ARG 55 -23.123 15.086 -3.173 438 HA ARG 55 HA ARG 55 -20.974 15.535 -1.278 439 1HB ARG 55 2HB ARG 55 -22.454 17.807 -2.615 440 2HB ARG 55 1HB ARG 55 -21.476 17.989 -1.166 441 1HG ARG 55 1HG ARG 55 -19.488 17.398 -2.350 442 2HG ARG 55 2HG ARG 55 -20.416 16.968 -3.789 443 1HD ARG 55 2HD ARG 55 -21.095 19.253 -4.093 444 2HD ARG 55 1HD ARG 55 -20.326 19.725 -2.577 445 HE ARG 55 HE ARG 55 -18.398 18.563 -4.248 446 1HH1 ARG 55 1HH1 ARG 55 -20.376 21.422 -4.044 447 2HH1 ARG 55 2HH1 ARG 55 -19.247 22.422 -4.897 448 1HH2 ARG 55 1HH2 ARG 55 -16.904 19.871 -5.371 449 2HH2 ARG 55 2HH2 ARG 55 -17.275 21.539 -5.652 450 H LYS 56 H LYS 56 -22.880 17.824 -0.302 451 HA LYS 56 HA LYS 56 -24.198 16.310 1.667 452 1HB LYS 56 2HB LYS 56 -24.793 19.129 0.747 453 2HB LYS 56 1HB LYS 56 -25.322 18.410 2.262 454 1HG LYS 56 2HG LYS 56 -22.998 18.192 2.976 455 2HG LYS 56 1HG LYS 56 -22.464 18.908 1.454 456 1HD LYS 56 2HD LYS 56 -24.212 20.258 3.510 457 2HD LYS 56 1HD LYS 56 -22.487 20.549 3.279 458 1HE LYS 56 1HE LYS 56 -22.920 21.336 1.008 459 2HE LYS 56 2HE LYS 56 -24.643 21.029 1.224 460 1HZ LYS 56 1HZ LYS 56 -23.117 23.292 2.001 461 2HZ LYS 56 2HZ LYS 56 -23.900 22.622 3.343 462 3HZ LYS 56 3HZ LYS 56 -24.798 23.088 1.988 463 H LEU 57 H LEU 57 -25.456 17.959 -1.221 464 HA LEU 57 HA LEU 57 -27.389 17.749 -2.393 465 1HB LEU 57 2HB LEU 57 -26.313 15.452 -2.611 466 2HB LEU 57 1HB LEU 57 -27.441 14.911 -1.382 467 HG LEU 57 HG LEU 57 -28.108 14.386 -3.730 468 1HD1 LEU 57 1HD2 LEU 57 -30.435 14.955 -3.452 469 2HD1 LEU 57 2HD2 LEU 57 -30.020 16.190 -2.263 470 3HD1 LEU 57 3HD2 LEU 57 -29.743 14.487 -1.898 471 1HD2 LEU 57 1HD1 LEU 57 -29.104 17.095 -4.220 472 2HD2 LEU 57 2HD1 LEU 57 -28.377 15.930 -5.327 473 3HD2 LEU 57 3HD1 LEU 57 -27.349 16.930 -4.300 474 H SER 1 1HT SER 1 -12.143 -7.280 0.217 475 HA SER 1 HA SER 1 -11.727 -10.159 0.298 476 1HB SER 1 1HB SER 1 -13.369 -10.037 -1.550 477 2HB SER 1 2HB SER 1 -13.932 -9.172 -0.119 478 HG SER 1 HG SER 1 -12.700 -7.998 -2.392 479 H GLU 2 H GLU 2 -10.855 -7.359 -1.670 480 HA GLU 2 HA GLU 2 -9.636 -8.903 -3.745 481 1HB GLU 2 1HB GLU 2 -10.579 -6.686 -4.189 482 2HB GLU 2 2HB GLU 2 -9.410 -5.959 -3.096 483 1HG GLU 2 2HG GLU 2 -8.749 -5.633 -5.399 484 2HG GLU 2 1HG GLU 2 -7.592 -6.667 -4.564 485 H ALA 3 H ALA 3 -8.576 -7.462 -0.763 486 HA ALA 3 HA ALA 3 -5.760 -7.628 -1.346 487 1HB ALA 3 1HB ALA 3 -7.102 -7.304 1.335 488 2HB ALA 3 2HB ALA 3 -6.749 -5.972 0.234 489 3HB ALA 3 3HB ALA 3 -5.431 -6.920 0.925 490 H LEU 4 H LEU 4 -8.190 -9.607 -0.011 491 HA LEU 4 HA LEU 4 -6.406 -11.498 1.228 492 1HB LEU 4 2HB LEU 4 -9.376 -11.584 0.700 493 2HB LEU 4 1HB LEU 4 -8.497 -12.691 1.743 494 HG LEU 4 HG LEU 4 -9.513 -11.168 3.215 495 1HD1 LEU 4 1HD1 LEU 4 -7.306 -11.446 3.933 496 2HD1 LEU 4 2HD1 LEU 4 -7.582 -9.704 3.997 497 3HD1 LEU 4 3HD1 LEU 4 -6.672 -10.405 2.657 498 1HD2 LEU 4 1HD2 LEU 4 -10.205 -9.527 1.514 499 2HD2 LEU 4 2HD2 LEU 4 -8.557 -8.902 1.459 500 3HD2 LEU 4 3HD2 LEU 4 -9.507 -8.756 2.937 501 H LYS 5 H LYS 5 -8.357 -11.222 -1.637 502 HA LYS 5 HA LYS 5 -7.764 -13.878 -2.571 503 1HB LYS 5 1HB LYS 5 -9.956 -12.899 -3.022 504 2HB LYS 5 2HB LYS 5 -9.203 -11.582 -3.910 505 1HG LYS 5 2HG LYS 5 -10.191 -13.361 -5.340 506 2HG LYS 5 1HG LYS 5 -8.473 -13.062 -5.631 507 1HD LYS 5 2HD LYS 5 -7.907 -14.974 -4.213 508 2HD LYS 5 1HD LYS 5 -9.625 -15.284 -3.950 509 1HE LYS 5 1HE LYS 5 -8.733 -16.766 -5.666 510 2HE LYS 5 2HE LYS 5 -9.931 -15.666 -6.347 511 1HZ LYS 5 1HZ LYS 5 -7.460 -16.092 -7.349 512 2HZ LYS 5 2HZ LYS 5 -7.238 -14.662 -6.471 513 3HZ LYS 5 3HZ LYS 5 -8.421 -14.737 -7.677 514 H ILE 6 H ILE 6 -6.550 -10.652 -3.050 515 HA ILE 6 HA ILE 6 -5.282 -10.875 -5.499 516 HB ILE 6 HB ILE 6 -5.455 -8.780 -4.187 517 1HG1 ILE 6 1HG1 ILE 6 -2.674 -9.637 -5.011 518 2HG1 ILE 6 2HG1 ILE 6 -3.875 -8.819 -6.013 519 1HG2 ILE 6 1HG2 ILE 6 -4.328 -8.356 -2.246 520 2HG2 ILE 6 2HG2 ILE 6 -3.080 -9.557 -2.578 521 3HG2 ILE 6 3HG2 ILE 6 -4.683 -10.072 -2.052 522 1HD1 ILE 6 1HD1 ILE 6 -3.687 -7.011 -4.100 523 2HD1 ILE 6 2HD1 ILE 6 -2.569 -7.051 -5.465 524 3HD1 ILE 6 3HD1 ILE 6 -2.092 -7.742 -3.911 525 H LEU 7 H LEU 7 -4.144 -11.681 -2.266 526 HA LEU 7 HA LEU 7 -1.855 -13.042 -3.456 527 1HB LEU 7 2HB LEU 7 -0.599 -12.392 -1.703 528 2HB LEU 7 1HB LEU 7 -1.843 -11.170 -1.534 529 HG LEU 7 HG LEU 7 -2.946 -12.935 0.068 530 1HD1 LEU 7 1HD1 LEU 7 -0.466 -13.705 1.167 531 2HD1 LEU 7 2HD1 LEU 7 -0.435 -14.152 -0.540 532 3HD1 LEU 7 3HD1 LEU 7 -1.733 -14.741 0.500 533 1HD2 LEU 7 1HD2 LEU 7 -1.054 -11.947 1.772 534 2HD2 LEU 7 2HD2 LEU 7 -2.502 -11.087 1.240 535 3HD2 LEU 7 3HD2 LEU 7 -0.963 -10.822 0.416 536 H ASN 8 H ASN 8 -4.862 -13.540 -2.067 537 HA ASN 8 HA ASN 8 -6.023 -15.426 -1.517 538 1HB ASN 8 2HB ASN 8 -3.573 -16.887 -2.533 539 2HB ASN 8 1HB ASN 8 -5.135 -17.627 -2.189 540 1HD2 ASN 8 2HD2 ASN 8 -3.228 -16.530 -4.585 541 2HD2 ASN 8 1HD2 ASN 8 -4.432 -16.157 -5.780 542 H ASN 9 H ASN 9 -4.330 -14.089 0.411 543 HA ASN 9 HA ASN 9 -3.633 -14.292 2.559 544 1HB ASN 9 1HB ASN 9 -5.128 -16.919 2.404 545 2HB ASN 9 2HB ASN 9 -4.579 -16.148 3.889 546 1HD2 ASN 9 2HD2 ASN 9 -5.393 -13.676 1.922 547 2HD2 ASN 9 1HD2 ASN 9 -7.039 -13.452 2.394 548 H ILE 10 H ILE 10 -1.674 -14.688 3.316 549 HA ILE 10 HA ILE 10 0.249 -16.208 2.048 550 HB ILE 10 HB ILE 10 1.602 -16.027 4.081 551 1HG1 ILE 10 1HG1 ILE 10 -0.310 -16.348 5.690 552 2HG1 ILE 10 2HG1 ILE 10 0.781 -15.028 6.099 553 1HG2 ILE 10 1HG2 ILE 10 1.236 -13.421 4.274 554 2HG2 ILE 10 2HG2 ILE 10 0.177 -13.710 2.893 555 3HG2 ILE 10 3HG2 ILE 10 1.880 -14.164 2.808 556 1HD1 ILE 10 1HD1 ILE 10 -1.420 -14.273 6.503 557 2HD1 ILE 10 2HD1 ILE 10 -1.976 -14.835 4.927 558 3HD1 ILE 10 3HD1 ILE 10 -0.866 -13.468 5.035 559 H ARG 11 H ARG 11 -2.132 -17.258 4.374 560 HA ARG 11 HA ARG 11 -0.906 -19.593 5.301 561 1HB ARG 11 1HB ARG 11 -3.219 -20.394 5.750 562 2HB ARG 11 2HB ARG 11 -2.911 -18.770 6.349 563 1HG ARG 11 2HG ARG 11 -4.049 -17.846 4.377 564 2HG ARG 11 1HG ARG 11 -4.399 -19.486 3.833 565 1HD ARG 11 1HD ARG 11 -5.326 -18.301 6.446 566 2HD ARG 11 2HD ARG 11 -6.307 -18.414 4.985 567 HE ARG 11 HE ARG 11 -6.597 -20.663 5.372 568 1HH1 ARG 11 1HH1 ARG 11 -4.226 -19.390 7.591 569 2HH1 ARG 11 2HH1 ARG 11 -4.136 -20.844 8.525 570 1HH2 ARG 11 1HH2 ARG 11 -6.485 -22.573 6.602 571 2HH2 ARG 11 2HH2 ARG 11 -5.419 -22.653 7.966 572 H THR 12 H THR 12 -3.146 -19.196 2.557 573 HA THR 12 HA THR 12 -2.613 -21.899 1.645 574 HB THR 12 HB THR 12 -4.333 -19.714 0.451 575 HG1 THR 12 1HG THR 12 -6.026 -21.104 1.258 576 1HG2 THR 12 1HG2 THR 12 -5.285 -21.521 -0.938 577 2HG2 THR 12 2HG2 THR 12 -4.060 -22.624 -0.315 578 3HG2 THR 12 3HG2 THR 12 -3.580 -21.232 -1.288 579 H LEU 13 H LEU 13 -1.818 -18.613 0.814 580 HA LEU 13 HA LEU 13 -0.762 -19.000 -1.739 581 1HB LEU 13 1HB LEU 13 -1.301 -16.804 -0.905 582 2HB LEU 13 2HB LEU 13 -0.110 -16.948 0.369 583 HG LEU 13 HG LEU 13 0.423 -15.504 -1.715 584 1HD1 LEU 13 1HD1 LEU 13 2.091 -15.806 -0.089 585 2HD1 LEU 13 2HD1 LEU 13 2.835 -16.285 -1.615 586 3HD1 LEU 13 3HD1 LEU 13 2.280 -17.517 -0.481 587 1HD2 LEU 13 1HD2 LEU 13 1.158 -16.529 -3.644 588 2HD2 LEU 13 2HD2 LEU 13 -0.210 -17.544 -3.195 589 3HD2 LEU 13 3HD2 LEU 13 1.435 -18.078 -2.844 590 H ARG 14 H ARG 14 0.929 -18.898 1.398 591 HA ARG 14 HA ARG 14 3.508 -19.290 0.524 592 1HB ARG 14 1HB ARG 14 3.078 -18.790 2.816 593 2HB ARG 14 2HB ARG 14 2.099 -20.236 3.014 594 1HG ARG 14 1HG ARG 14 4.143 -21.595 2.626 595 2HG ARG 14 2HG ARG 14 5.076 -20.096 2.632 596 1HD ARG 14 2HD ARG 14 4.312 -19.605 4.879 597 2HD ARG 14 1HD ARG 14 3.319 -21.060 4.876 598 HE ARG 14 HE ARG 14 5.174 -22.204 5.529 599 1HH1 ARG 14 1HH1 ARG 14 6.217 -19.378 3.772 600 2HH1 ARG 14 2HH1 ARG 14 7.902 -19.713 3.985 601 1HH2 ARG 14 1HH2 ARG 14 7.391 -22.648 5.811 602 2HH2 ARG 14 2HH2 ARG 14 8.571 -21.570 5.144 603 H ALA 15 H ALA 15 0.922 -21.618 0.924 604 HA ALA 15 HA ALA 15 2.622 -23.907 0.519 605 1HB ALA 15 1HB ALA 15 -0.373 -23.832 0.398 606 2HB ALA 15 2HB ALA 15 0.536 -23.893 1.909 607 3HB ALA 15 3HB ALA 15 0.666 -25.212 0.745 608 H GLN 16 H GLN 16 0.068 -22.306 -1.396 609 HA GLN 16 HA GLN 16 0.290 -24.032 -3.615 610 1HB GLN 16 2HB GLN 16 -0.925 -22.314 -4.871 611 2HB GLN 16 1HB GLN 16 -1.653 -22.569 -3.291 612 1HG GLN 16 1HG GLN 16 -0.565 -20.570 -2.450 613 2HG GLN 16 2HG GLN 16 0.205 -20.318 -4.015 614 1HE2 GLN 16 2HE2 GLN 16 -2.231 -19.306 -2.123 615 2HE2 GLN 16 1HE2 GLN 16 -3.340 -18.731 -3.331 616 H ALA 17 H ALA 17 1.997 -21.220 -2.614 617 HA ALA 17 HA ALA 17 3.483 -20.962 -5.089 618 1HB ALA 17 1HB ALA 17 4.737 -19.291 -3.394 619 2HB ALA 17 2HB ALA 17 3.149 -19.382 -2.624 620 3HB ALA 17 3HB ALA 17 3.288 -18.856 -4.304 621 H ARG 18 H ARG 18 3.720 -22.453 -1.999 622 HA ARG 18 HA ARG 18 6.425 -22.671 -1.548 623 1HB ARG 18 1HB ARG 18 4.661 -23.567 -0.050 624 2HB ARG 18 2HB ARG 18 4.394 -24.883 -1.183 625 1HG ARG 18 2HG ARG 18 5.753 -25.640 0.657 626 2HG ARG 18 1HG ARG 18 6.707 -25.634 -0.827 627 1HD ARG 18 2HD ARG 18 7.699 -23.496 -0.185 628 2HD ARG 18 1HD ARG 18 6.739 -23.492 1.294 629 HE ARG 18 HE ARG 18 9.200 -24.800 0.910 630 1HH1 ARG 18 1HH1 ARG 18 6.076 -25.300 2.374 631 2HH1 ARG 18 2HH1 ARG 18 6.670 -26.408 3.565 632 1HH2 ARG 18 1HH2 ARG 18 9.988 -26.258 2.475 633 2HH2 ARG 18 2HH2 ARG 18 8.891 -26.953 3.623 634 H GLU 19 H GLU 19 4.461 -24.375 -3.886 635 HA GLU 19 HA GLU 19 6.304 -26.375 -4.601 636 1HB GLU 19 1HB GLU 19 5.018 -26.595 -6.666 637 2HB GLU 19 2HB GLU 19 3.948 -26.432 -5.280 638 1HG GLU 19 2HG GLU 19 3.602 -24.076 -5.826 639 2HG GLU 19 1HG GLU 19 4.669 -24.247 -7.220 640 H SER 20 H SER 20 5.982 -23.025 -5.608 641 HA SER 20 HA SER 20 8.245 -23.365 -7.451 642 1HB SER 20 1HB SER 20 6.313 -21.048 -7.182 643 2HB SER 20 2HB SER 20 7.575 -21.205 -8.405 644 HG SER 20 HG SER 20 5.273 -22.822 -8.072 645 H THR 21 H THR 21 8.548 -20.331 -7.236 646 HA THR 21 HA THR 21 10.243 -20.327 -4.824 647 HB THR 21 HB THR 21 10.630 -18.622 -7.295 648 HG1 THR 21 1HG THR 21 12.476 -20.588 -6.904 649 1HG2 THR 21 1HG2 THR 21 13.063 -18.933 -6.092 650 2HG2 THR 21 2HG2 THR 21 11.979 -18.872 -4.702 651 3HG2 THR 21 3HG2 THR 21 11.998 -17.547 -5.865 652 H LEU 22 H LEU 22 10.676 -17.898 -4.124 653 HA LEU 22 HA LEU 22 8.259 -16.858 -3.224 654 1HB LEU 22 2HB LEU 22 9.535 -15.523 -1.976 655 2HB LEU 22 1HB LEU 22 10.888 -16.421 -2.631 656 HG LEU 22 HG LEU 22 9.841 -13.899 -3.897 657 1HD1 LEU 22 1HD1 LEU 22 11.940 -12.914 -2.795 658 2HD1 LEU 22 2HD1 LEU 22 11.833 -14.290 -1.697 659 3HD1 LEU 22 3HD1 LEU 22 10.499 -13.139 -1.800 660 1HD2 LEU 22 1HD2 LEU 22 11.506 -15.780 -4.916 661 2HD2 LEU 22 2HD2 LEU 22 12.650 -14.667 -4.165 662 3HD2 LEU 22 3HD2 LEU 22 11.505 -14.076 -5.372 663 H GLU 23 H GLU 23 9.710 -16.615 -6.275 664 HA GLU 23 HA GLU 23 9.192 -14.154 -7.275 665 1HB GLU 23 2HB GLU 23 8.720 -15.202 -9.439 666 2HB GLU 23 1HB GLU 23 10.056 -16.010 -8.630 667 1HG GLU 23 2HG GLU 23 8.563 -17.800 -7.926 668 2HG GLU 23 1HG GLU 23 7.214 -16.990 -8.720 669 H THR 24 H THR 24 6.891 -16.437 -6.101 670 HA THR 24 HA THR 24 4.539 -15.594 -7.321 671 HB THR 24 HB THR 24 4.931 -16.558 -4.482 672 HG1 THR 24 1HG THR 24 4.844 -17.801 -6.942 673 1HG2 THR 24 1HG2 THR 24 2.807 -15.706 -4.360 674 2HG2 THR 24 2HG2 THR 24 2.454 -17.312 -4.999 675 3HG2 THR 24 3HG2 THR 24 2.503 -15.922 -6.085 676 H LEU 25 H LEU 25 6.258 -14.291 -4.508 677 HA LEU 25 HA LEU 25 4.298 -12.353 -3.906 678 1HB LEU 25 2HB LEU 25 6.204 -11.214 -2.639 679 2HB LEU 25 1HB LEU 25 5.641 -12.775 -2.094 680 HG LEU 25 HG LEU 25 7.615 -13.827 -3.196 681 1HD1 LEU 25 1HD2 LEU 25 9.356 -11.625 -3.321 682 2HD1 LEU 25 2HD2 LEU 25 7.945 -11.200 -4.287 683 3HD1 LEU 25 3HD2 LEU 25 8.845 -12.685 -4.639 684 1HD2 LEU 25 1HD1 LEU 25 9.127 -12.168 -1.519 685 2HD2 LEU 25 2HD1 LEU 25 8.378 -13.715 -1.124 686 3HD2 LEU 25 3HD1 LEU 25 7.500 -12.212 -0.840 687 H GLU 26 H GLU 26 7.356 -12.118 -5.776 688 HA GLU 26 HA GLU 26 7.120 -9.376 -6.244 689 1HB GLU 26 1HB GLU 26 8.568 -9.665 -8.169 690 2HB GLU 26 2HB GLU 26 9.151 -10.648 -6.835 691 1HG GLU 26 2HG GLU 26 8.199 -12.632 -7.854 692 2HG GLU 26 1HG GLU 26 7.553 -11.659 -9.175 693 H GLU 27 H GLU 27 5.346 -12.069 -7.374 694 HA GLU 27 HA GLU 27 4.137 -10.666 -9.605 695 1HB GLU 27 1HB GLU 27 4.493 -13.085 -9.747 696 2HB GLU 27 2HB GLU 27 3.468 -13.332 -8.339 697 1HG GLU 27 2HG GLU 27 1.556 -12.451 -9.577 698 2HG GLU 27 1HG GLU 27 2.583 -12.205 -10.989 699 H MET 28 H MET 28 3.046 -11.935 -6.460 700 HA MET 28 HA MET 28 0.548 -10.477 -6.654 701 1HB MET 28 2HB MET 28 1.601 -12.258 -4.454 702 2HB MET 28 1HB MET 28 -0.029 -11.608 -4.553 703 1HG MET 28 1HG MET 28 1.232 -13.532 -6.489 704 2HG MET 28 2HG MET 28 0.038 -13.925 -5.255 705 1HE MET 28 1HE MET 28 -1.863 -14.328 -8.655 706 2HE MET 28 2HE MET 28 -1.816 -14.993 -7.023 707 3HE MET 28 3HE MET 28 -0.339 -14.908 -7.981 708 H LEU 29 H LEU 29 3.327 -10.603 -4.470 709 HA LEU 29 HA LEU 29 2.617 -8.669 -2.607 710 1HB LEU 29 1HB LEU 29 4.636 -10.217 -2.635 711 2HB LEU 29 2HB LEU 29 5.401 -9.068 -3.717 712 HG LEU 29 HG LEU 29 5.365 -7.365 -1.989 713 1HD1 LEU 29 1HD2 LEU 29 4.311 -9.403 -0.062 714 2HD1 LEU 29 2HD2 LEU 29 3.233 -8.312 -0.936 715 3HD1 LEU 29 3HD2 LEU 29 4.466 -7.660 0.146 716 1HD2 LEU 29 1HD1 LEU 29 7.322 -8.686 -1.987 717 2HD2 LEU 29 2HD1 LEU 29 6.496 -10.042 -1.219 718 3HD2 LEU 29 3HD1 LEU 29 6.820 -8.574 -0.299 719 H GLU 30 H GLU 30 4.133 -8.255 -5.778 720 HA GLU 30 HA GLU 30 4.609 -5.485 -5.606 721 1HB GLU 30 1HB GLU 30 5.639 -6.910 -7.311 722 2HB GLU 30 2HB GLU 30 4.067 -7.172 -8.052 723 1HG GLU 30 1HG GLU 30 3.912 -4.777 -8.547 724 2HG GLU 30 2HG GLU 30 5.507 -4.538 -7.835 725 H LYS 31 H LYS 31 1.765 -7.326 -6.526 726 HA LYS 31 HA LYS 31 0.363 -4.973 -7.477 727 1HB LYS 31 1HB LYS 31 -0.914 -7.627 -6.885 728 2HB LYS 31 2HB LYS 31 -1.378 -6.427 -8.083 729 1HG LYS 31 2HG LYS 31 1.184 -7.985 -8.217 730 2HG LYS 31 1HG LYS 31 -0.315 -8.523 -8.973 731 1HD LYS 31 2HD LYS 31 0.912 -7.461 -10.680 732 2HD LYS 31 1HD LYS 31 -0.325 -6.300 -10.200 733 1HE LYS 31 2HE LYS 31 1.308 -5.101 -8.851 734 2HE LYS 31 1HE LYS 31 2.544 -6.285 -9.275 735 1HZ LYS 31 1HZ LYS 31 2.629 -5.535 -11.450 736 2HZ LYS 31 2HZ LYS 31 2.451 -4.099 -10.575 737 3HZ LYS 31 3HZ LYS 31 1.120 -4.773 -11.370 738 H LEU 32 H LEU 32 0.631 -6.928 -4.669 739 HA LEU 32 HA LEU 32 -1.623 -5.927 -3.265 740 1HB LEU 32 2HB LEU 32 -0.566 -8.098 -2.829 741 2HB LEU 32 1HB LEU 32 0.871 -7.273 -2.254 742 HG LEU 32 HG LEU 32 -0.366 -6.350 -0.388 743 1HD1 LEU 32 1HD2 LEU 32 -2.828 -7.623 -0.386 744 2HD1 LEU 32 2HD2 LEU 32 -2.643 -7.037 -2.038 745 3HD1 LEU 32 3HD2 LEU 32 -2.528 -5.911 -0.683 746 1HD2 LEU 32 1HD1 LEU 32 0.544 -8.586 -0.102 747 2HD2 LEU 32 2HD1 LEU 32 -0.947 -9.286 -0.733 748 3HD2 LEU 32 3HD1 LEU 32 -0.964 -8.405 0.794 749 H GLU 33 H GLU 33 1.617 -4.847 -3.808 750 HA GLU 33 HA GLU 33 1.541 -2.943 -1.601 751 1HB GLU 33 2HB GLU 33 3.750 -2.280 -2.262 752 2HB GLU 33 1HB GLU 33 3.680 -4.035 -2.288 753 1HG GLU 33 1HG GLU 33 3.508 -4.039 -4.691 754 2HG GLU 33 2HG GLU 33 3.412 -2.278 -4.720 755 H VAL 34 H VAL 34 1.400 -2.935 -5.152 756 HA VAL 34 HA VAL 34 1.218 -0.142 -5.461 757 HB VAL 34 HB VAL 34 0.299 -0.563 -7.689 758 1HG1 VAL 34 1HG1 VAL 34 2.735 -0.741 -7.247 759 2HG1 VAL 34 2HG1 VAL 34 2.191 -1.703 -8.622 760 3HG1 VAL 34 3HG1 VAL 34 2.536 -2.486 -7.081 761 1HG2 VAL 34 1HG2 VAL 34 -0.739 -2.436 -8.307 762 2HG2 VAL 34 2HG2 VAL 34 -0.783 -2.834 -6.590 763 3HG2 VAL 34 3HG2 VAL 34 0.513 -3.462 -7.608 764 H VAL 35 H VAL 35 -1.170 -2.643 -4.833 765 HA VAL 35 HA VAL 35 -3.501 -1.183 -5.306 766 HB VAL 35 HB VAL 35 -3.467 -3.623 -4.767 767 1HG1 VAL 35 1HG1 VAL 35 -2.681 -4.443 -2.860 768 2HG1 VAL 35 2HG1 VAL 35 -3.660 -3.332 -1.903 769 3HG1 VAL 35 3HG1 VAL 35 -2.080 -2.825 -2.499 770 1HG2 VAL 35 1HG2 VAL 35 -5.318 -1.654 -3.652 771 2HG2 VAL 35 2HG2 VAL 35 -5.402 -3.248 -2.898 772 3HG2 VAL 35 3HG2 VAL 35 -5.632 -3.082 -4.639 773 H VAL 36 H VAL 36 -1.388 -1.367 -2.472 774 HA VAL 36 HA VAL 36 -2.966 0.663 -1.123 775 HB VAL 36 HB VAL 36 -0.637 0.396 0.349 776 1HG1 VAL 36 1HG2 VAL 36 -2.283 0.412 1.824 777 2HG1 VAL 36 2HG2 VAL 36 -2.569 -1.291 1.473 778 3HG1 VAL 36 3HG2 VAL 36 -3.453 -0.043 0.585 779 1HG2 VAL 36 1HG1 VAL 36 -1.542 -2.387 -0.299 780 2HG2 VAL 36 2HG1 VAL 36 -0.134 -1.874 0.635 781 3HG2 VAL 36 3HG1 VAL 36 -0.172 -1.629 -1.111 782 H ASN 37 H ASN 37 -0.262 0.485 -3.216 783 HA ASN 37 HA ASN 37 1.203 2.733 -2.460 784 1HB ASN 37 2HB ASN 37 1.751 1.137 -4.342 785 2HB ASN 37 1HB ASN 37 0.536 1.959 -5.311 786 1HD2 ASN 37 2HD2 ASN 37 3.698 1.711 -4.916 787 2HD2 ASN 37 1HD2 ASN 37 4.210 3.311 -5.354 788 H GLU 38 H GLU 38 -1.769 2.352 -4.229 789 HA GLU 38 HA GLU 38 -2.076 5.211 -4.630 790 1HB GLU 38 2HB GLU 38 -4.270 4.584 -5.638 791 2HB GLU 38 1HB GLU 38 -2.879 3.835 -6.408 792 1HG GLU 38 2HG GLU 38 -3.322 1.763 -5.201 793 2HG GLU 38 1HG GLU 38 -4.715 2.515 -4.429 794 H ARG 39 H ARG 39 -3.476 2.671 -2.593 795 HA ARG 39 HA ARG 39 -5.389 4.414 -1.375 796 1HB ARG 39 1HB ARG 39 -4.409 1.644 -0.805 797 2HB ARG 39 2HB ARG 39 -5.347 2.494 0.409 798 1HG ARG 39 1HG ARG 39 -6.825 1.134 -0.862 799 2HG ARG 39 2HG ARG 39 -7.136 2.824 -1.270 800 1HD ARG 39 1HD ARG 39 -5.424 2.370 -3.179 801 2HD ARG 39 2HD ARG 39 -5.830 0.680 -2.878 802 HE ARG 39 HE ARG 39 -7.757 1.032 -4.027 803 1HH1 ARG 39 1HH1 ARG 39 -6.714 4.081 -2.698 804 2HH1 ARG 39 2HH1 ARG 39 -8.018 4.981 -3.401 805 1HH2 ARG 39 1HH2 ARG 39 -9.478 2.211 -4.957 806 2HH2 ARG 39 2HH2 ARG 39 -9.587 3.918 -4.683 807 H ARG 40 H ARG 40 -2.338 3.001 -0.217 808 HA ARG 40 HA ARG 40 -2.165 4.186 2.254 809 1HB ARG 40 1HB ARG 40 -0.048 3.495 0.239 810 2HB ARG 40 2HB ARG 40 0.401 4.330 1.717 811 1HG ARG 40 1HG ARG 40 -0.995 1.668 1.555 812 2HG ARG 40 2HG ARG 40 0.717 1.926 1.915 813 1HD ARG 40 1HD ARG 40 -1.654 2.817 3.558 814 2HD ARG 40 2HD ARG 40 -0.483 1.565 3.975 815 HE ARG 40 HE ARG 40 0.920 3.939 3.571 816 1HH1 ARG 40 1HH1 ARG 40 -1.441 2.629 5.776 817 2HH1 ARG 40 2HH1 ARG 40 -0.925 3.606 7.109 818 1HH2 ARG 40 1HH2 ARG 40 1.602 5.230 5.321 819 2HH2 ARG 40 2HH2 ARG 40 0.803 5.084 6.851 820 H GLU 41 H GLU 41 -1.477 5.637 -0.896 821 HA GLU 41 HA GLU 41 -0.647 8.142 0.295 822 1HB GLU 41 1HB GLU 41 -1.111 7.348 -2.577 823 2HB GLU 41 2HB GLU 41 -0.501 8.916 -2.069 824 1HG GLU 41 1HG GLU 41 0.832 6.264 -1.572 825 2HG GLU 41 2HG GLU 41 1.294 7.443 -2.798 826 H GLU 42 H GLU 42 -3.475 7.059 -1.607 827 HA GLU 42 HA GLU 42 -4.714 9.660 -1.341 828 1HB GLU 42 1HB GLU 42 -5.432 7.133 -2.772 829 2HB GLU 42 2HB GLU 42 -6.655 8.369 -2.513 830 1HG GLU 42 1HG GLU 42 -5.610 8.574 -4.703 831 2HG GLU 42 2HG GLU 42 -5.309 9.992 -3.701 832 H GLU 43 H GLU 43 -5.317 6.391 -0.113 833 HA GLU 43 HA GLU 43 -7.733 6.903 1.173 834 1HB GLU 43 1HB GLU 43 -6.084 4.729 0.949 835 2HB GLU 43 2HB GLU 43 -5.938 5.123 2.657 836 1HG GLU 43 2HG GLU 43 -8.462 4.522 1.144 837 2HG GLU 43 1HG GLU 43 -7.688 3.517 2.364 838 H SER 44 H SER 44 -4.405 7.159 2.401 839 HA SER 44 HA SER 44 -5.020 8.028 4.989 840 1HB SER 44 1HB SER 44 -2.740 7.371 4.318 841 2HB SER 44 2HB SER 44 -2.642 8.782 3.262 842 HG SER 44 HG SER 44 -2.034 8.637 5.824 843 H ALA 45 H ALA 45 -4.845 9.642 1.918 844 HA ALA 45 HA ALA 45 -4.999 12.319 2.792 845 1HB ALA 45 1HB ALA 45 -4.472 12.383 0.605 846 2HB ALA 45 2HB ALA 45 -6.217 12.342 0.353 847 3HB ALA 45 3HB ALA 45 -5.277 10.847 0.268 848 H ALA 46 H ALA 46 -7.438 9.893 1.966 849 HA ALA 46 HA ALA 46 -9.705 11.571 2.209 850 1HB ALA 46 1HB ALA 46 -9.447 8.575 2.533 851 2HB ALA 46 2HB ALA 46 -9.845 9.444 1.051 852 3HB ALA 46 3HB ALA 46 -10.974 9.450 2.407 853 H ALA 47 H ALA 47 -7.973 9.498 4.493 854 HA ALA 47 HA ALA 47 -9.745 9.786 6.666 855 1HB ALA 47 1HB ALA 47 -6.985 8.832 6.276 856 2HB ALA 47 2HB ALA 47 -8.321 8.110 7.173 857 3HB ALA 47 3HB ALA 47 -7.369 9.406 7.899 858 H ALA 48 H ALA 48 -6.802 11.557 5.775 859 HA ALA 48 HA ALA 48 -6.892 13.379 7.946 860 1HB ALA 48 1HB ALA 48 -4.822 13.044 6.773 861 2HB ALA 48 2HB ALA 48 -5.312 14.724 6.563 862 3HB ALA 48 3HB ALA 48 -5.546 13.567 5.253 863 H GLU 49 H GLU 49 -8.278 13.311 4.747 864 HA GLU 49 HA GLU 49 -9.078 15.955 4.443 865 1HB GLU 49 2HB GLU 49 -9.216 14.326 2.637 866 2HB GLU 49 1HB GLU 49 -10.432 13.415 3.519 867 1HG GLU 49 2HG GLU 49 -11.985 15.271 3.328 868 2HG GLU 49 1HG GLU 49 -10.766 16.215 2.475 869 H VAL 50 H VAL 50 -10.782 13.237 5.957 870 HA VAL 50 HA VAL 50 -12.196 15.077 7.688 871 HB VAL 50 HB VAL 50 -14.431 14.147 7.160 872 1HG1 VAL 50 1HG1 VAL 50 -14.084 16.246 6.214 873 2HG1 VAL 50 2HG1 VAL 50 -14.607 15.264 4.846 874 3HG1 VAL 50 3HG1 VAL 50 -12.896 15.636 5.061 875 1HG2 VAL 50 1HG2 VAL 50 -12.991 12.860 4.844 876 2HG2 VAL 50 2HG2 VAL 50 -14.744 12.975 5.001 877 3HG2 VAL 50 3HG2 VAL 50 -13.812 12.040 6.171 878 H GLU 51 H GLU 51 -12.092 14.235 9.647 879 HA GLU 51 HA GLU 51 -11.578 11.399 10.002 880 1HB GLU 51 1HB GLU 51 -11.760 13.637 12.029 881 2HB GLU 51 2HB GLU 51 -11.249 11.990 12.375 882 1HG GLU 51 1HG GLU 51 -9.335 12.267 10.890 883 2HG GLU 51 2HG GLU 51 -9.847 13.916 10.535 884 H GLU 52 H GLU 52 -13.976 13.790 11.049 885 HA GLU 52 HA GLU 52 -16.170 12.060 10.796 886 1HB GLU 52 1HB GLU 52 -16.750 11.747 13.180 887 2HB GLU 52 2HB GLU 52 -15.273 10.905 12.733 888 1HG GLU 52 2HG GLU 52 -13.944 12.678 13.743 889 2HG GLU 52 1HG GLU 52 -15.420 13.541 14.176 890 H ARG 53 H ARG 53 -14.900 14.737 12.764 891 HA ARG 53 HA ARG 53 -17.427 16.110 12.798 892 1HB ARG 53 1HB ARG 53 -15.879 16.360 14.667 893 2HB ARG 53 2HB ARG 53 -14.658 17.030 13.595 894 1HG ARG 53 1HG ARG 53 -16.076 18.959 13.161 895 2HG ARG 53 2HG ARG 53 -17.331 18.282 14.201 896 1HD ARG 53 2HD ARG 53 -14.546 19.034 15.079 897 2HD ARG 53 1HD ARG 53 -15.996 19.999 15.347 898 HE ARG 53 HE ARG 53 -16.412 17.434 16.397 899 1HH1 ARG 53 1HH1 ARG 53 -14.504 20.287 16.993 900 2HH1 ARG 53 2HH1 ARG 53 -14.394 20.014 18.699 901 1HH2 ARG 53 1HH2 ARG 53 -16.274 17.069 18.644 902 2HH2 ARG 53 2HH2 ARG 53 -15.401 18.185 19.638 903 H THR 54 H THR 54 -14.338 16.480 11.111 904 HA THR 54 HA THR 54 -14.866 18.853 9.750 905 HB THR 54 HB THR 54 -13.220 16.499 8.801 906 HG1 THR 54 1HG THR 54 -12.210 18.867 9.964 907 1HG2 THR 54 1HG2 THR 54 -13.960 18.411 7.158 908 2HG2 THR 54 2HG2 THR 54 -12.294 17.834 7.165 909 3HG2 THR 54 3HG2 THR 54 -12.710 19.330 7.998 910 H ARG 55 H ARG 55 -15.930 19.372 7.905 911 HA ARG 55 HA ARG 55 -16.775 17.514 5.948 912 1HB ARG 55 2HB ARG 55 -19.214 17.622 6.372 913 2HB ARG 55 1HB ARG 55 -18.340 16.775 7.641 914 1HG ARG 55 2HG ARG 55 -18.387 18.884 8.976 915 2HG ARG 55 1HG ARG 55 -19.442 19.572 7.738 916 1HD ARG 55 2HD ARG 55 -20.006 17.130 9.413 917 2HD ARG 55 1HD ARG 55 -20.747 18.718 9.601 918 HE ARG 55 HE ARG 55 -21.197 17.842 6.985 919 1HH1 ARG 55 1HH1 ARG 55 -22.104 17.027 10.249 920 2HH1 ARG 55 2HH1 ARG 55 -23.636 16.361 9.793 921 1HH2 ARG 55 1HH2 ARG 55 -23.213 16.967 6.376 922 2HH2 ARG 55 2HH2 ARG 55 -24.267 16.326 7.594 923 H LYS 56 H LYS 56 -17.437 20.602 7.535 924 HA LYS 56 HA LYS 56 -16.965 22.106 5.196 925 1HB LYS 56 2HB LYS 56 -19.248 22.991 4.841 926 2HB LYS 56 1HB LYS 56 -19.123 21.277 4.468 927 1HG LYS 56 2HG LYS 56 -20.122 20.740 6.641 928 2HG LYS 56 1HG LYS 56 -20.271 22.464 6.986 929 1HD LYS 56 2HD LYS 56 -21.572 21.025 4.674 930 2HD LYS 56 1HD LYS 56 -22.380 21.486 6.174 931 1HE LYS 56 1HE LYS 56 -21.109 23.378 4.199 932 2HE LYS 56 2HE LYS 56 -22.838 23.082 4.377 933 1HZ LYS 56 1HZ LYS 56 -22.304 23.753 6.844 934 2HZ LYS 56 2HZ LYS 56 -22.618 24.923 5.663 935 3HZ LYS 56 3HZ LYS 56 -21.023 24.580 6.110 936 H LEU 57 H LEU 57 -16.565 24.198 5.703 937 HA LEU 57 HA LEU 57 -17.740 25.574 7.887 938 1HB LEU 57 2HB LEU 57 -16.300 24.078 9.183 939 2HB LEU 57 1HB LEU 57 -14.906 24.601 8.260 940 HG LEU 57 HG LEU 57 -15.201 26.892 9.170 941 1HD1 LEU 57 1HD1 LEU 57 -16.739 27.361 10.909 942 2HD1 LEU 57 2HD1 LEU 57 -17.204 25.666 11.051 943 3HD1 LEU 57 3HD1 LEU 57 -17.663 26.591 9.620 944 1HD2 LEU 57 1HD2 LEU 57 -15.070 25.348 11.642 945 2HD2 LEU 57 2HD2 LEU 57 -13.857 26.374 10.877 946 3HD2 LEU 57 3HD2 LEU 57 -14.056 24.704 10.349 Start of MODEL 16 1 H SER 1 1HT SER 1 5.405 6.367 1.747 2 HA SER 1 HA SER 1 5.794 4.794 -0.635 3 1HB SER 1 2HB SER 1 8.222 4.513 -0.241 4 2HB SER 1 1HB SER 1 7.822 6.169 -0.699 5 HG SER 1 HG SER 1 7.880 5.523 2.019 6 H GLU 2 H GLU 2 4.126 4.460 1.527 7 HA GLU 2 HA GLU 2 5.406 2.789 3.503 8 1HB GLU 2 2HB GLU 2 3.548 4.248 4.145 9 2HB GLU 2 1HB GLU 2 2.486 3.403 3.029 10 1HG GLU 2 2HG GLU 2 2.060 2.646 5.261 11 2HG GLU 2 1HG GLU 2 2.798 1.339 4.336 12 H ALA 3 H ALA 3 3.441 2.370 0.631 13 HA ALA 3 HA ALA 3 3.033 -0.461 1.033 14 1HB ALA 3 1HB ALA 3 1.966 -0.414 -1.138 15 2HB ALA 3 2HB ALA 3 2.602 1.201 -1.449 16 3HB ALA 3 3HB ALA 3 1.404 0.953 -0.178 17 H LEU 4 H LEU 4 5.323 1.585 -0.387 18 HA LEU 4 HA LEU 4 6.548 -0.390 -2.079 19 1HB LEU 4 1HB LEU 4 7.439 2.384 -1.303 20 2HB LEU 4 2HB LEU 4 8.063 1.433 -2.643 21 HG LEU 4 HG LEU 4 6.603 2.978 -3.647 22 1HD1 LEU 4 1HD1 LEU 4 6.123 0.928 -4.636 23 2HD1 LEU 4 2HD1 LEU 4 4.534 1.573 -4.219 24 3HD1 LEU 4 3HD1 LEU 4 5.277 0.334 -3.205 25 1HD2 LEU 4 1HD2 LEU 4 5.564 3.691 -1.467 26 2HD2 LEU 4 2HD2 LEU 4 4.445 2.339 -1.637 27 3HD2 LEU 4 3HD2 LEU 4 4.462 3.628 -2.840 28 H LYS 5 H LYS 5 7.147 1.221 0.957 29 HA LYS 5 HA LYS 5 9.679 -0.099 1.388 30 1HB LYS 5 2HB LYS 5 9.339 2.230 2.099 31 2HB LYS 5 1HB LYS 5 8.076 1.707 3.203 32 1HG LYS 5 2HG LYS 5 10.851 0.613 3.419 33 2HG LYS 5 1HG LYS 5 10.423 2.169 4.128 34 1HD LYS 5 2HD LYS 5 8.643 1.086 5.418 35 2HD LYS 5 1HD LYS 5 9.085 -0.470 4.710 36 1HE LYS 5 2HE LYS 5 11.308 -0.297 5.719 37 2HE LYS 5 1HE LYS 5 10.869 1.259 6.422 38 1HZ LYS 5 1HZ LYS 5 9.894 -1.428 7.134 39 2HZ LYS 5 2HZ LYS 5 8.961 -0.064 7.488 40 3HZ LYS 5 3HZ LYS 5 10.514 -0.218 8.141 41 H ILE 6 H ILE 6 6.343 -0.530 2.293 42 HA ILE 6 HA ILE 6 6.566 -2.049 4.595 43 HB ILE 6 HB ILE 6 4.400 -1.320 3.720 44 1HG1 ILE 6 1HG1 ILE 6 4.751 -3.487 5.117 45 2HG1 ILE 6 2HG1 ILE 6 3.164 -3.166 4.427 46 1HG2 ILE 6 1HG2 ILE 6 4.975 -1.676 1.331 47 2HG2 ILE 6 2HG2 ILE 6 3.372 -2.254 1.790 48 3HG2 ILE 6 3HG2 ILE 6 4.696 -3.401 1.570 49 1HD1 ILE 6 1HD1 ILE 6 4.539 -5.507 4.232 50 2HD1 ILE 6 2HD1 ILE 6 4.931 -4.726 2.700 51 3HD1 ILE 6 3HD1 ILE 6 3.246 -4.996 3.146 52 H LEU 7 H LEU 7 6.479 -3.103 1.240 53 HA LEU 7 HA LEU 7 7.480 -5.711 2.024 54 1HB LEU 7 1HB LEU 7 6.423 -6.541 0.214 55 2HB LEU 7 2HB LEU 7 5.556 -5.018 0.246 56 HG LEU 7 HG LEU 7 7.490 -4.219 -1.343 57 1HD1 LEU 7 1HD1 LEU 7 7.622 -6.634 -2.755 58 2HD1 LEU 7 2HD1 LEU 7 8.020 -7.030 -1.079 59 3HD1 LEU 7 3HD1 LEU 7 8.941 -5.792 -1.932 60 1HD2 LEU 7 1HD2 LEU 7 6.090 -5.399 -3.245 61 2HD2 LEU 7 2HD2 LEU 7 5.418 -4.089 -2.272 62 3HD2 LEU 7 3HD2 LEU 7 5.017 -5.768 -1.895 63 H ASN 8 H ASN 8 8.582 -2.723 1.135 64 HA ASN 8 HA ASN 8 10.609 -1.895 0.514 65 1HB ASN 8 2HB ASN 8 11.613 -4.705 1.022 66 2HB ASN 8 1HB ASN 8 12.603 -3.251 0.914 67 1HD2 ASN 8 2HD2 ASN 8 13.183 -2.412 2.765 68 2HD2 ASN 8 1HD2 ASN 8 12.332 -2.560 4.272 69 H ASN 9 H ASN 9 8.838 -2.927 -1.495 70 HA ASN 9 HA ASN 9 8.753 -3.322 -3.723 71 1HB ASN 9 2HB ASN 9 11.674 -2.552 -3.585 72 2HB ASN 9 1HB ASN 9 10.744 -2.712 -5.071 73 1HD2 ASN 9 1HD2 ASN 9 8.627 -1.540 -2.844 74 2HD2 ASN 9 2HD2 ASN 9 8.815 0.149 -3.141 75 H ILE 10 H ILE 10 8.589 -5.205 -4.743 76 HA ILE 10 HA ILE 10 9.631 -7.583 -3.814 77 HB ILE 10 HB ILE 10 9.025 -8.594 -5.966 78 1HG1 ILE 10 2HG1 ILE 10 9.721 -6.583 -7.349 79 2HG1 ILE 10 1HG1 ILE 10 8.200 -7.339 -7.810 80 1HG2 ILE 10 1HG2 ILE 10 7.179 -8.631 -4.683 81 2HG2 ILE 10 2HG2 ILE 10 6.579 -7.499 -5.898 82 3HG2 ILE 10 3HG2 ILE 10 7.222 -6.894 -4.370 83 1HD1 ILE 10 1HD1 ILE 10 8.305 -4.936 -6.024 84 2HD1 ILE 10 2HD1 ILE 10 6.933 -5.580 -6.926 85 3HD1 ILE 10 3HD1 ILE 10 8.270 -4.813 -7.783 86 H ARG 11 H ARG 11 11.045 -5.330 -6.086 87 HA ARG 11 HA ARG 11 13.017 -6.976 -7.195 88 1HB ARG 11 2HB ARG 11 14.238 -4.843 -7.633 89 2HB ARG 11 1HB ARG 11 12.559 -4.821 -8.153 90 1HG ARG 11 2HG ARG 11 11.954 -3.581 -6.124 91 2HG ARG 11 1HG ARG 11 13.650 -3.582 -5.632 92 1HD ARG 11 2HD ARG 11 12.534 -2.330 -8.139 93 2HD ARG 11 1HD ARG 11 13.032 -1.467 -6.686 94 HE ARG 11 HE ARG 11 15.191 -3.003 -7.581 95 1HH1 ARG 11 1HH1 ARG 11 13.306 -0.245 -8.573 96 2HH1 ARG 11 2HH1 ARG 11 14.605 0.489 -9.454 97 1HH2 ARG 11 1HH2 ARG 11 16.907 -2.044 -8.737 98 2HH2 ARG 11 2HH2 ARG 11 16.651 -0.534 -9.548 99 H THR 12 H THR 12 13.202 -4.825 -4.363 100 HA THR 12 HA THR 12 15.859 -5.630 -3.686 101 HB THR 12 HB THR 12 13.799 -4.165 -2.025 102 HG1 THR 12 1HG THR 12 15.436 -2.418 -2.662 103 1HG2 THR 12 1HG2 THR 12 15.761 -3.413 -0.707 104 2HG2 THR 12 2HG2 THR 12 16.768 -4.534 -1.621 105 3HG2 THR 12 3HG2 THR 12 15.478 -5.149 -0.590 106 H LEU 13 H LEU 13 12.626 -6.539 -2.620 107 HA LEU 13 HA LEU 13 13.343 -8.024 -0.365 108 1HB LEU 13 2HB LEU 13 11.036 -7.332 -0.929 109 2HB LEU 13 1HB LEU 13 11.016 -8.518 -2.218 110 HG LEU 13 HG LEU 13 11.395 -9.238 0.690 111 1HD1 LEU 13 1HD1 LEU 13 8.850 -9.705 -0.781 112 2HD1 LEU 13 2HD1 LEU 13 9.157 -8.119 -0.074 113 3HD1 LEU 13 3HD1 LEU 13 9.140 -9.554 0.953 114 1HD2 LEU 13 1HD2 LEU 13 12.239 -10.941 -0.776 115 2HD2 LEU 13 2HD2 LEU 13 10.786 -10.858 -1.779 116 3HD2 LEU 13 3HD2 LEU 13 10.686 -11.481 -0.132 117 H ARG 14 H ARG 14 12.600 -9.253 -3.643 118 HA ARG 14 HA ARG 14 13.130 -11.906 -3.264 119 1HB ARG 14 1HB ARG 14 13.801 -10.213 -5.672 120 2HB ARG 14 2HB ARG 14 13.864 -11.970 -5.662 121 1HG ARG 14 2HG ARG 14 11.452 -11.997 -5.076 122 2HG ARG 14 1HG ARG 14 11.434 -10.242 -5.269 123 1HD ARG 14 2HD ARG 14 10.655 -11.373 -7.292 124 2HD ARG 14 1HD ARG 14 12.143 -10.473 -7.585 125 HE ARG 14 HE ARG 14 12.737 -13.155 -6.922 126 1HH1 ARG 14 1HH1 ARG 14 11.488 -11.192 -9.514 127 2HH1 ARG 14 2HH1 ARG 14 11.977 -12.295 -10.757 128 1HH2 ARG 14 1HH2 ARG 14 13.386 -14.610 -8.550 129 2HH2 ARG 14 2HH2 ARG 14 13.056 -14.237 -10.209 130 H ALA 15 H ALA 15 15.406 -9.294 -3.516 131 HA ALA 15 HA ALA 15 17.726 -10.947 -3.824 132 1HB ALA 15 1HB ALA 15 17.600 -8.096 -2.894 133 2HB ALA 15 2HB ALA 15 17.569 -8.589 -4.589 134 3HB ALA 15 3HB ALA 15 18.982 -8.937 -3.592 135 H GLN 16 H GLN 16 16.314 -9.122 -1.111 136 HA GLN 16 HA GLN 16 18.319 -9.968 0.738 137 1HB GLN 16 1HB GLN 16 16.864 -9.013 2.464 138 2HB GLN 16 2HB GLN 16 17.030 -7.912 1.102 139 1HG GLN 16 1HG GLN 16 14.853 -8.655 0.256 140 2HG GLN 16 2HG GLN 16 14.686 -9.719 1.651 141 1HE2 GLN 16 2HE2 GLN 16 13.716 -6.880 0.429 142 2HE2 GLN 16 1HE2 GLN 16 13.388 -6.005 1.893 143 H ALA 17 H ALA 17 15.276 -11.174 -0.309 144 HA ALA 17 HA ALA 17 15.109 -13.212 1.734 145 1HB ALA 17 1HB ALA 17 12.994 -12.463 1.226 146 2HB ALA 17 2HB ALA 17 13.113 -13.923 0.241 147 3HB ALA 17 3HB ALA 17 13.339 -12.334 -0.500 148 H ARG 18 H ARG 18 16.360 -12.827 -1.456 149 HA ARG 18 HA ARG 18 16.126 -15.286 -2.623 150 1HB ARG 18 2HB ARG 18 18.105 -14.882 -3.829 151 2HB ARG 18 1HB ARG 18 17.506 -13.278 -3.435 152 1HG ARG 18 2HG ARG 18 19.094 -13.155 -1.569 153 2HG ARG 18 1HG ARG 18 19.710 -14.749 -2.005 154 1HD ARG 18 2HD ARG 18 20.373 -13.892 -4.199 155 2HD ARG 18 1HD ARG 18 19.757 -12.299 -3.764 156 HE ARG 18 HE ARG 18 21.751 -11.922 -2.744 157 1HH1 ARG 18 1HH1 ARG 18 21.178 -15.362 -2.736 158 2HH1 ARG 18 2HH1 ARG 18 22.676 -15.738 -1.953 159 1HH2 ARG 18 1HH2 ARG 18 23.723 -12.410 -1.714 160 2HH2 ARG 18 2HH2 ARG 18 24.122 -14.061 -1.373 161 H GLU 19 H GLU 19 18.071 -14.419 0.143 162 HA GLU 19 HA GLU 19 19.276 -17.032 0.334 163 1HB GLU 19 2HB GLU 19 20.500 -14.911 0.832 164 2HB GLU 19 1HB GLU 19 19.423 -14.659 2.202 165 1HG GLU 19 2HG GLU 19 20.194 -16.706 3.203 166 2HG GLU 19 1HG GLU 19 21.240 -16.999 1.820 167 H SER 20 H SER 20 16.403 -16.951 0.498 168 HA SER 20 HA SER 20 16.015 -18.489 2.851 169 1HB SER 20 2HB SER 20 16.008 -16.257 3.897 170 2HB SER 20 1HB SER 20 14.708 -15.757 2.816 171 HG SER 20 HG SER 20 14.401 -18.032 4.440 172 H THR 21 H THR 21 13.438 -18.616 3.221 173 HA THR 21 HA THR 21 12.396 -19.578 0.692 174 HB THR 21 HB THR 21 11.107 -19.709 3.428 175 HG1 THR 21 1HG THR 21 12.066 -21.775 3.549 176 1HG2 THR 21 1HG2 THR 21 9.385 -20.440 2.170 177 2HG2 THR 21 2HG2 THR 21 10.326 -21.926 2.049 178 3HG2 THR 21 3HG2 THR 21 10.407 -20.724 0.761 179 H LEU 22 H LEU 22 9.960 -19.174 0.293 180 HA LEU 22 HA LEU 22 9.555 -16.461 -0.171 181 1HB LEU 22 2HB LEU 22 7.820 -17.157 -1.387 182 2HB LEU 22 1HB LEU 22 8.353 -18.781 -0.992 183 HG LEU 22 HG LEU 22 6.317 -17.251 0.612 184 1HD1 LEU 22 1HD1 LEU 22 5.222 -17.522 -1.399 185 2HD1 LEU 22 2HD1 LEU 22 4.768 -18.984 -0.520 186 3HD1 LEU 22 3HD1 LEU 22 6.031 -19.052 -1.749 187 1HD2 LEU 22 1HD2 LEU 22 6.456 -20.197 0.619 188 2HD2 LEU 22 2HD2 LEU 22 6.048 -19.068 1.915 189 3HD2 LEU 22 3HD2 LEU 22 7.737 -19.331 1.470 190 H GLU 23 H GLU 23 9.237 -18.238 2.685 191 HA GLU 23 HA GLU 23 7.131 -17.309 4.087 192 1HB GLU 23 1HB GLU 23 8.855 -18.759 5.053 193 2HB GLU 23 2HB GLU 23 9.992 -17.420 5.072 194 1HG GLU 23 2HG GLU 23 9.179 -17.717 7.279 195 2HG GLU 23 1HG GLU 23 8.473 -16.233 6.640 196 H THR 24 H THR 24 9.817 -15.449 2.928 197 HA THR 24 HA THR 24 9.709 -13.167 4.495 198 HB THR 24 HB THR 24 11.450 -13.426 2.840 199 HG1 THR 24 1HG THR 24 11.186 -11.292 3.189 200 1HG2 THR 24 1HG2 THR 24 9.738 -12.759 0.531 201 2HG2 THR 24 2HG2 THR 24 9.557 -14.391 1.176 202 3HG2 THR 24 3HG2 THR 24 11.138 -13.827 0.636 203 H LEU 25 H LEU 25 7.731 -14.059 1.678 204 HA LEU 25 HA LEU 25 6.301 -11.635 1.621 205 1HB LEU 25 2HB LEU 25 4.551 -13.021 0.354 206 2HB LEU 25 1HB LEU 25 6.113 -12.749 -0.377 207 HG LEU 25 HG LEU 25 6.784 -15.053 0.333 208 1HD1 LEU 25 1HD2 LEU 25 5.545 -16.190 1.769 209 2HD1 LEU 25 2HD2 LEU 25 4.244 -16.233 0.576 210 3HD1 LEU 25 3HD2 LEU 25 4.311 -14.925 1.755 211 1HD2 LEU 25 1HD1 LEU 25 6.280 -15.287 -1.824 212 2HD2 LEU 25 2HD1 LEU 25 4.833 -14.287 -1.686 213 3HD2 LEU 25 3HD1 LEU 25 4.767 -15.998 -1.263 214 H GLU 26 H GLU 26 5.545 -14.790 3.137 215 HA GLU 26 HA GLU 26 3.044 -14.051 4.115 216 1HB GLU 26 2HB GLU 26 3.650 -16.331 4.357 217 2HB GLU 26 1HB GLU 26 5.122 -15.930 5.240 218 1HG GLU 26 1HG GLU 26 3.825 -15.198 7.142 219 2HG GLU 26 2HG GLU 26 2.326 -15.463 6.257 220 H GLU 27 H GLU 27 6.229 -13.088 5.004 221 HA GLU 27 HA GLU 27 5.466 -11.976 7.557 222 1HB GLU 27 2HB GLU 27 7.747 -12.802 7.188 223 2HB GLU 27 1HB GLU 27 7.983 -11.606 5.921 224 1HG GLU 27 2HG GLU 27 7.727 -9.815 7.560 225 2HG GLU 27 1HG GLU 27 7.490 -11.015 8.831 226 H MET 28 H MET 28 6.491 -10.616 4.420 227 HA MET 28 HA MET 28 5.570 -7.985 5.224 228 1HB MET 28 2HB MET 28 6.855 -8.891 2.648 229 2HB MET 28 1HB MET 28 6.537 -7.224 3.102 230 1HG MET 28 1HG MET 28 8.340 -9.069 4.648 231 2HG MET 28 2HG MET 28 8.897 -7.967 3.393 232 1HE MET 28 1HE MET 28 6.457 -6.925 6.904 233 2HE MET 28 2HE MET 28 7.974 -7.427 7.652 234 3HE MET 28 3HE MET 28 7.126 -8.520 6.556 235 H LEU 29 H LEU 29 4.868 -10.343 2.690 236 HA LEU 29 HA LEU 29 2.902 -8.984 1.272 237 1HB LEU 29 1HB LEU 29 3.943 -11.094 0.567 238 2HB LEU 29 2HB LEU 29 3.109 -11.941 1.848 239 HG LEU 29 HG LEU 29 0.950 -11.415 0.738 240 1HD1 LEU 29 1HD1 LEU 29 0.854 -10.486 -1.419 241 2HD1 LEU 29 2HD1 LEU 29 2.606 -10.566 -1.618 242 3HD1 LEU 29 3HD1 LEU 29 1.897 -9.409 -0.490 243 1HD2 LEU 29 1HD2 LEU 29 2.023 -13.554 0.394 244 2HD2 LEU 29 2HD2 LEU 29 3.031 -12.873 -0.884 245 3HD2 LEU 29 3HD2 LEU 29 1.287 -13.010 -1.115 246 H GLU 30 H GLU 30 2.556 -11.016 4.162 247 HA GLU 30 HA GLU 30 -0.246 -10.959 4.310 248 1HB GLU 30 2HB GLU 30 1.088 -12.521 5.628 249 2HB GLU 30 1HB GLU 30 1.781 -11.187 6.541 250 1HG GLU 30 2HG GLU 30 -0.436 -10.650 7.426 251 2HG GLU 30 1HG GLU 30 -1.113 -12.009 6.531 252 H LYS 31 H LYS 31 2.178 -8.630 5.249 253 HA LYS 31 HA LYS 31 0.269 -7.020 6.740 254 1HB LYS 31 2HB LYS 31 3.020 -6.119 5.951 255 2HB LYS 31 1HB LYS 31 2.086 -5.700 7.384 256 1HG LYS 31 2HG LYS 31 3.370 -8.348 6.783 257 2HG LYS 31 1HG LYS 31 3.899 -7.168 7.986 258 1HD LYS 31 2HD LYS 31 1.843 -7.495 9.241 259 2HD LYS 31 1HD LYS 31 1.241 -8.602 8.004 260 1HE LYS 31 1HE LYS 31 2.117 -9.821 9.927 261 2HE LYS 31 2HE LYS 31 3.064 -10.146 8.475 262 1HZ LYS 31 1HZ LYS 31 4.459 -9.776 10.430 263 2HZ LYS 31 2HZ LYS 31 3.819 -8.221 10.610 264 3HZ LYS 31 3HZ LYS 31 4.738 -8.603 9.242 265 H LEU 32 H LEU 32 1.718 -7.237 3.633 266 HA LEU 32 HA LEU 32 1.084 -4.637 2.702 267 1HB LEU 32 1HB LEU 32 2.774 -6.209 1.721 268 2HB LEU 32 2HB LEU 32 1.437 -7.145 1.079 269 HG LEU 32 HG LEU 32 0.734 -5.356 -0.335 270 1HD1 LEU 32 1HD2 LEU 32 2.262 -3.741 1.520 271 2HD1 LEU 32 2HD2 LEU 32 0.971 -3.276 0.413 272 3HD1 LEU 32 3HD2 LEU 32 2.635 -3.357 -0.161 273 1HD2 LEU 32 1HD1 LEU 32 3.733 -5.545 -0.484 274 2HD2 LEU 32 2HD1 LEU 32 2.628 -5.127 -1.795 275 3HD2 LEU 32 3HD1 LEU 32 2.608 -6.751 -1.108 276 H GLU 33 H GLU 33 -0.652 -7.598 3.078 277 HA GLU 33 HA GLU 33 -2.816 -6.727 1.344 278 1HB GLU 33 2HB GLU 33 -3.939 -8.812 1.988 279 2HB GLU 33 1HB GLU 33 -2.316 -9.099 1.385 280 1HG GLU 33 2HG GLU 33 -2.437 -10.526 3.179 281 2HG GLU 33 1HG GLU 33 -1.646 -9.118 3.879 282 H VAL 34 H VAL 34 -2.076 -6.946 4.787 283 HA VAL 34 HA VAL 34 -4.683 -6.226 5.660 284 HB VAL 34 HB VAL 34 -3.756 -5.788 7.835 285 1HG1 VAL 34 1HG1 VAL 34 -3.687 -8.206 6.567 286 2HG1 VAL 34 2HG1 VAL 34 -3.467 -7.949 8.299 287 3HG1 VAL 34 3HG1 VAL 34 -2.062 -8.086 7.242 288 1HG2 VAL 34 1HG2 VAL 34 -0.977 -6.416 7.293 289 2HG2 VAL 34 2HG2 VAL 34 -1.678 -5.105 8.241 290 3HG2 VAL 34 3HG2 VAL 34 -1.501 -4.933 6.495 291 H VAL 35 H VAL 35 -1.772 -4.388 4.804 292 HA VAL 35 HA VAL 35 -2.585 -1.880 5.741 293 HB VAL 35 HB VAL 35 -1.264 -0.872 3.864 294 1HG1 VAL 35 1HG2 VAL 35 0.335 -1.012 5.373 295 2HG1 VAL 35 2HG2 VAL 35 0.842 -2.513 4.597 296 3HG1 VAL 35 3HG2 VAL 35 -0.269 -2.560 5.969 297 1HG2 VAL 35 1HG1 VAL 35 0.059 -2.319 2.425 298 2HG2 VAL 35 2HG1 VAL 35 -1.671 -2.553 2.170 299 3HG2 VAL 35 3HG1 VAL 35 -0.747 -3.732 3.103 300 H VAL 36 H VAL 36 -3.076 -3.385 2.554 301 HA VAL 36 HA VAL 36 -4.925 -1.323 1.783 302 HB VAL 36 HB VAL 36 -3.504 -2.508 0.122 303 1HG1 VAL 36 1HG1 VAL 36 -3.438 -4.723 0.143 304 2HG1 VAL 36 2HG1 VAL 36 -5.061 -4.706 -0.548 305 3HG1 VAL 36 3HG1 VAL 36 -4.847 -4.809 1.200 306 1HG2 VAL 36 1HG2 VAL 36 -4.999 -1.415 -1.096 307 2HG2 VAL 36 2HG2 VAL 36 -6.339 -1.911 -0.063 308 3HG2 VAL 36 3HG2 VAL 36 -5.749 -2.994 -1.333 309 H ASN 37 H ASN 37 -5.131 -4.254 3.522 310 HA ASN 37 HA ASN 37 -7.747 -5.078 2.911 311 1HB ASN 37 2HB ASN 37 -6.214 -6.405 4.299 312 2HB ASN 37 1HB ASN 37 -6.265 -5.177 5.553 313 1HD2 ASN 37 1HD2 ASN 37 -7.384 -5.813 7.204 314 2HD2 ASN 37 2HD2 ASN 37 -8.860 -6.723 7.161 315 H GLU 38 H GLU 38 -6.480 -2.756 5.197 316 HA GLU 38 HA GLU 38 -8.994 -1.992 6.294 317 1HB GLU 38 2HB GLU 38 -6.365 -0.500 6.249 318 2HB GLU 38 1HB GLU 38 -7.752 -0.085 7.244 319 1HG GLU 38 1HG GLU 38 -6.216 -2.667 7.408 320 2HG GLU 38 2HG GLU 38 -6.005 -1.286 8.483 321 H ARG 39 H ARG 39 -6.921 -0.708 3.728 322 HA ARG 39 HA ARG 39 -8.617 1.541 3.196 323 1HB ARG 39 2HB ARG 39 -6.346 0.310 1.642 324 2HB ARG 39 1HB ARG 39 -7.234 1.720 1.099 325 1HG ARG 39 2HG ARG 39 -5.220 2.450 2.123 326 2HG ARG 39 1HG ARG 39 -6.569 2.892 3.170 327 1HD ARG 39 2HD ARG 39 -6.029 0.608 4.319 328 2HD ARG 39 1HD ARG 39 -4.452 0.842 3.562 329 HE ARG 39 HE ARG 39 -3.999 2.348 5.200 330 1HH1 ARG 39 1HH1 ARG 39 -7.446 2.211 4.741 331 2HH1 ARG 39 2HH1 ARG 39 -7.793 3.345 6.005 332 1HH2 ARG 39 1HH2 ARG 39 -4.440 3.848 6.868 333 2HH2 ARG 39 2HH2 ARG 39 -6.081 4.278 7.215 334 H ARG 40 H ARG 40 -8.064 -1.553 1.595 335 HA ARG 40 HA ARG 40 -9.647 -1.362 -0.613 336 1HB ARG 40 2HB ARG 40 -8.747 -3.566 1.109 337 2HB ARG 40 1HB ARG 40 -10.252 -3.914 0.270 338 1HG ARG 40 2HG ARG 40 -7.611 -3.175 -0.963 339 2HG ARG 40 1HG ARG 40 -8.412 -4.750 -1.011 340 1HD ARG 40 2HD ARG 40 -9.377 -2.182 -2.279 341 2HD ARG 40 1HD ARG 40 -8.725 -3.590 -3.118 342 HE ARG 40 HE ARG 40 -10.924 -4.412 -1.599 343 1HH1 ARG 40 1HH1 ARG 40 -10.213 -2.419 -4.369 344 2HH1 ARG 40 2HH1 ARG 40 -11.753 -2.686 -5.117 345 1HH2 ARG 40 1HH2 ARG 40 -12.953 -4.769 -2.576 346 2HH2 ARG 40 2HH2 ARG 40 -13.310 -4.021 -4.097 347 H GLU 41 H GLU 41 -10.639 -1.986 2.716 348 HA GLU 41 HA GLU 41 -13.444 -2.116 1.979 349 1HB GLU 41 2HB GLU 41 -12.110 -2.200 4.685 350 2HB GLU 41 1HB GLU 41 -13.821 -2.476 4.390 351 1HG GLU 41 2HG GLU 41 -11.554 -4.150 3.332 352 2HG GLU 41 1HG GLU 41 -12.619 -4.567 4.676 353 H GLU 42 H GLU 42 -11.364 0.138 3.816 354 HA GLU 42 HA GLU 42 -13.595 1.924 4.286 355 1HB GLU 42 2HB GLU 42 -10.665 2.208 4.954 356 2HB GLU 42 1HB GLU 42 -11.927 3.320 5.462 357 1HG GLU 42 2HG GLU 42 -13.004 1.528 6.722 358 2HG GLU 42 1HG GLU 42 -11.739 0.411 6.211 359 H GLU 43 H GLU 43 -10.606 1.987 2.409 360 HA GLU 43 HA GLU 43 -10.788 4.595 1.449 361 1HB GLU 43 2HB GLU 43 -8.838 2.980 1.228 362 2HB GLU 43 1HB GLU 43 -9.693 2.287 -0.142 363 1HG GLU 43 2HG GLU 43 -9.011 5.205 0.027 364 2HG GLU 43 1HG GLU 43 -7.908 4.007 -0.646 365 H SER 44 H SER 44 -11.995 1.561 0.046 366 HA SER 44 HA SER 44 -13.142 2.629 -2.266 367 1HB SER 44 1HB SER 44 -12.918 0.203 -1.892 368 2HB SER 44 2HB SER 44 -14.111 0.288 -0.597 369 HG SER 44 HG SER 44 -15.007 -0.382 -2.615 370 H ALA 45 H ALA 45 -14.176 2.518 1.039 371 HA ALA 45 HA ALA 45 -16.869 3.317 0.685 372 1HB ALA 45 1HB ALA 45 -16.197 4.203 3.181 373 2HB ALA 45 2HB ALA 45 -14.986 2.946 2.902 374 3HB ALA 45 3HB ALA 45 -16.706 2.558 2.794 375 H ALA 46 H ALA 46 -13.860 5.078 1.342 376 HA ALA 46 HA ALA 46 -15.012 7.648 1.565 377 1HB ALA 46 1HB ALA 46 -12.216 6.752 0.884 378 2HB ALA 46 2HB ALA 46 -12.826 7.298 2.445 379 3HB ALA 46 3HB ALA 46 -12.668 8.442 1.113 380 H ALA 47 H ALA 47 -13.648 5.858 -1.157 381 HA ALA 47 HA ALA 47 -13.883 7.988 -3.034 382 1HB ALA 47 1HB ALA 47 -13.776 5.841 -4.626 383 2HB ALA 47 2HB ALA 47 -13.182 5.119 -3.130 384 3HB ALA 47 3HB ALA 47 -12.358 6.514 -3.824 385 H ALA 48 H ALA 48 -15.897 5.206 -2.213 386 HA ALA 48 HA ALA 48 -17.768 5.380 -4.262 387 1HB ALA 48 1HB ALA 48 -18.016 4.397 -1.432 388 2HB ALA 48 2HB ALA 48 -17.793 3.451 -2.903 389 3HB ALA 48 3HB ALA 48 -19.326 4.270 -2.606 390 H GLU 49 H GLU 49 -17.829 6.909 -1.043 391 HA GLU 49 HA GLU 49 -20.296 8.249 -1.492 392 1HB GLU 49 1HB GLU 49 -19.688 9.576 0.515 393 2HB GLU 49 2HB GLU 49 -19.558 7.842 0.769 394 1HG GLU 49 1HG GLU 49 -17.139 7.977 0.475 395 2HG GLU 49 2HG GLU 49 -17.268 9.717 0.221 396 H VAL 50 H VAL 50 -16.928 9.395 -1.512 397 HA VAL 50 HA VAL 50 -16.051 11.416 -2.191 398 HB VAL 50 HB VAL 50 -15.999 9.902 -4.157 399 1HG1 VAL 50 1HG1 VAL 50 -17.567 10.133 -5.959 400 2HG1 VAL 50 2HG1 VAL 50 -18.428 11.412 -5.102 401 3HG1 VAL 50 3HG1 VAL 50 -18.450 9.762 -4.478 402 1HG2 VAL 50 1HG2 VAL 50 -16.204 12.166 -5.763 403 2HG2 VAL 50 2HG2 VAL 50 -14.763 11.571 -4.937 404 3HG2 VAL 50 3HG2 VAL 50 -15.790 12.777 -4.161 405 H GLU 51 H GLU 51 -18.380 11.963 -0.761 406 HA GLU 51 HA GLU 51 -19.823 13.664 -0.322 407 1HB GLU 51 2HB GLU 51 -18.399 15.016 -2.620 408 2HB GLU 51 1HB GLU 51 -19.495 15.813 -1.501 409 1HG GLU 51 1HG GLU 51 -16.897 14.489 -0.756 410 2HG GLU 51 2HG GLU 51 -17.147 16.222 -0.958 411 H GLU 52 H GLU 52 -21.874 14.390 -0.904 412 HA GLU 52 HA GLU 52 -22.829 14.163 -3.604 413 1HB GLU 52 2HB GLU 52 -22.878 11.806 -2.939 414 2HB GLU 52 1HB GLU 52 -23.840 12.215 -1.525 415 1HG GLU 52 1HG GLU 52 -25.655 12.965 -2.972 416 2HG GLU 52 2HG GLU 52 -24.692 12.561 -4.391 417 H ARG 53 H ARG 53 -23.742 14.348 -0.177 418 HA ARG 53 HA ARG 53 -25.051 16.830 -0.478 419 1HB ARG 53 2HB ARG 53 -26.750 15.478 -1.619 420 2HB ARG 53 1HB ARG 53 -26.872 14.430 -0.212 421 1HG ARG 53 1HG ARG 53 -27.697 16.306 1.118 422 2HG ARG 53 2HG ARG 53 -27.574 17.359 -0.294 423 1HD ARG 53 1HD ARG 53 -29.189 15.951 -1.480 424 2HD ARG 53 2HD ARG 53 -29.316 14.908 -0.063 425 HE ARG 53 HE ARG 53 -30.721 17.304 -0.493 426 1HH1 ARG 53 1HH1 ARG 53 -29.014 15.605 2.028 427 2HH1 ARG 53 2HH1 ARG 53 -29.927 16.328 3.309 428 1HH2 ARG 53 1HH2 ARG 53 -31.927 18.256 1.188 429 2HH2 ARG 53 2HH2 ARG 53 -31.584 17.834 2.832 430 H THR 54 H THR 54 -25.167 13.803 1.392 431 HA THR 54 HA THR 54 -25.695 15.116 3.868 432 HB THR 54 HB THR 54 -24.509 12.354 3.609 433 HG1 THR 54 1HG THR 54 -26.361 11.645 2.822 434 1HG2 THR 54 1HG2 THR 54 -26.680 12.736 5.486 435 2HG2 THR 54 2HG2 THR 54 -25.367 13.874 5.787 436 3HG2 THR 54 3HG2 THR 54 -25.044 12.140 5.771 437 H ARG 55 H ARG 55 -23.437 13.127 4.964 438 HA ARG 55 HA ARG 55 -21.416 13.446 5.952 439 1HB ARG 55 2HB ARG 55 -20.874 14.694 3.255 440 2HB ARG 55 1HB ARG 55 -19.625 14.353 4.444 441 1HG ARG 55 2HG ARG 55 -19.621 12.595 2.841 442 2HG ARG 55 1HG ARG 55 -20.278 11.953 4.346 443 1HD ARG 55 2HD ARG 55 -22.551 12.241 3.464 444 2HD ARG 55 1HD ARG 55 -21.877 12.843 1.951 445 HE ARG 55 HE ARG 55 -21.619 10.679 1.321 446 1HH1 ARG 55 1HH1 ARG 55 -21.531 10.799 4.804 447 2HH1 ARG 55 2HH1 ARG 55 -21.351 9.085 4.985 448 1HH2 ARG 55 1HH2 ARG 55 -21.386 8.424 1.553 449 2HH2 ARG 55 2HH2 ARG 55 -21.270 7.736 3.139 450 H LYS 56 H LYS 56 -23.258 15.298 6.775 451 HA LYS 56 HA LYS 56 -21.620 17.334 7.844 452 1HB LYS 56 1HB LYS 56 -21.810 18.286 5.593 453 2HB LYS 56 2HB LYS 56 -23.563 18.221 5.703 454 1HG LYS 56 2HG LYS 56 -23.510 19.820 7.548 455 2HG LYS 56 1HG LYS 56 -21.750 19.887 7.437 456 1HD LYS 56 1HD LYS 56 -21.926 20.740 5.150 457 2HD LYS 56 2HD LYS 56 -23.686 20.672 5.260 458 1HE LYS 56 1HE LYS 56 -23.631 22.285 7.099 459 2HE LYS 56 2HE LYS 56 -21.873 22.353 6.987 460 1HZ LYS 56 1HZ LYS 56 -22.995 22.846 4.451 461 2HZ LYS 56 2HZ LYS 56 -22.040 23.869 5.403 462 3HZ LYS 56 3HZ LYS 56 -23.723 23.874 5.582 463 H LEU 57 H LEU 57 -24.933 16.462 6.943 464 HA LEU 57 HA LEU 57 -25.788 16.522 9.668 465 1HB LEU 57 2HB LEU 57 -27.374 18.296 9.541 466 2HB LEU 57 1HB LEU 57 -25.814 18.927 9.056 467 HG LEU 57 HG LEU 57 -27.981 18.122 7.117 468 1HD1 LEU 57 1HD2 LEU 57 -27.952 20.333 8.812 469 2HD1 LEU 57 2HD2 LEU 57 -28.955 20.097 7.381 470 3HD1 LEU 57 3HD2 LEU 57 -27.412 20.940 7.247 471 1HD2 LEU 57 1HD1 LEU 57 -25.718 18.034 6.199 472 2HD2 LEU 57 2HD1 LEU 57 -25.437 19.693 6.728 473 3HD2 LEU 57 3HD1 LEU 57 -26.649 19.355 5.492 474 H SER 1 1HT SER 1 -13.059 -8.439 -1.015 475 HA SER 1 HA SER 1 -11.295 -9.483 1.011 476 1HB SER 1 2HB SER 1 -11.566 -11.826 0.259 477 2HB SER 1 1HB SER 1 -13.031 -11.214 1.027 478 HG SER 1 HG SER 1 -12.776 -10.949 -1.744 479 H GLU 2 H GLU 2 -10.919 -7.577 -0.936 480 HA GLU 2 HA GLU 2 -9.820 -8.803 -3.308 481 1HB GLU 2 2HB GLU 2 -10.945 -6.634 -3.455 482 2HB GLU 2 1HB GLU 2 -9.762 -5.934 -2.358 483 1HG GLU 2 2HG GLU 2 -9.236 -5.298 -4.607 484 2HG GLU 2 1HG GLU 2 -7.995 -6.399 -4.011 485 H ALA 3 H ALA 3 -8.635 -7.434 -0.307 486 HA ALA 3 HA ALA 3 -5.859 -7.483 -1.101 487 1HB ALA 3 1HB ALA 3 -5.402 -6.788 1.172 488 2HB ALA 3 2HB ALA 3 -7.057 -7.164 1.651 489 3HB ALA 3 3HB ALA 3 -6.744 -5.842 0.526 490 H LEU 4 H LEU 4 -8.118 -9.564 0.315 491 HA LEU 4 HA LEU 4 -6.225 -11.380 1.489 492 1HB LEU 4 1HB LEU 4 -9.201 -11.622 1.059 493 2HB LEU 4 2HB LEU 4 -8.227 -12.614 2.135 494 HG LEU 4 HG LEU 4 -9.299 -11.080 3.556 495 1HD1 LEU 4 1HD1 LEU 4 -7.081 -11.142 4.258 496 2HD1 LEU 4 2HD1 LEU 4 -7.441 -9.418 4.165 497 3HD1 LEU 4 3HD1 LEU 4 -6.523 -10.198 2.875 498 1HD2 LEU 4 1HD2 LEU 4 -10.068 -9.593 1.676 499 2HD2 LEU 4 2HD2 LEU 4 -8.507 -8.778 1.773 500 3HD2 LEU 4 3HD2 LEU 4 -9.604 -8.756 3.156 501 H LYS 5 H LYS 5 -8.313 -11.184 -1.300 502 HA LYS 5 HA LYS 5 -7.600 -13.809 -2.270 503 1HB LYS 5 2HB LYS 5 -9.885 -12.946 -2.544 504 2HB LYS 5 1HB LYS 5 -9.268 -11.638 -3.541 505 1HG LYS 5 2HG LYS 5 -8.794 -14.491 -4.296 506 2HG LYS 5 1HG LYS 5 -10.312 -13.683 -4.683 507 1HD LYS 5 2HD LYS 5 -9.073 -11.941 -5.882 508 2HD LYS 5 1HD LYS 5 -7.560 -12.765 -5.498 509 1HE LYS 5 2HE LYS 5 -8.309 -14.728 -6.751 510 2HE LYS 5 1HE LYS 5 -9.824 -13.910 -7.131 511 1HZ LYS 5 1HZ LYS 5 -7.113 -13.333 -8.131 512 2HZ LYS 5 2HZ LYS 5 -8.296 -12.124 -8.135 513 3HZ LYS 5 3HZ LYS 5 -8.545 -13.554 -9.004 514 H ILE 6 H ILE 6 -6.628 -10.505 -2.782 515 HA ILE 6 HA ILE 6 -5.503 -10.623 -5.308 516 HB ILE 6 HB ILE 6 -5.656 -8.530 -4.048 517 1HG1 ILE 6 1HG1 ILE 6 -3.810 -9.038 -5.810 518 2HG1 ILE 6 2HG1 ILE 6 -3.709 -7.551 -4.874 519 1HG2 ILE 6 1HG2 ILE 6 -5.111 -9.538 -1.844 520 2HG2 ILE 6 2HG2 ILE 6 -4.288 -8.013 -2.174 521 3HG2 ILE 6 3HG2 ILE 6 -3.412 -9.538 -2.320 522 1HD1 ILE 6 1HD1 ILE 6 -1.688 -9.337 -5.240 523 2HD1 ILE 6 2HD1 ILE 6 -2.324 -9.825 -3.669 524 3HD1 ILE 6 3HD1 ILE 6 -1.781 -8.165 -3.925 525 H LEU 7 H LEU 7 -4.018 -11.269 -2.185 526 HA LEU 7 HA LEU 7 -1.793 -12.584 -3.504 527 1HB LEU 7 1HB LEU 7 -0.535 -11.998 -1.727 528 2HB LEU 7 2HB LEU 7 -1.841 -10.878 -1.397 529 HG LEU 7 HG LEU 7 -2.798 -12.865 0.029 530 1HD1 LEU 7 1HD1 LEU 7 -0.294 -13.657 1.004 531 2HD1 LEU 7 2HD1 LEU 7 -0.212 -13.844 -0.751 532 3HD1 LEU 7 3HD1 LEU 7 -1.487 -14.652 0.161 533 1HD2 LEU 7 1HD2 LEU 7 -1.120 -12.026 1.885 534 2HD2 LEU 7 2HD2 LEU 7 -2.382 -10.981 1.232 535 3HD2 LEU 7 3HD2 LEU 7 -0.723 -10.834 0.646 536 H ASN 8 H ASN 8 -4.797 -13.257 -2.298 537 HA ASN 8 HA ASN 8 -5.930 -15.175 -1.826 538 1HB ASN 8 2HB ASN 8 -3.472 -16.573 -2.908 539 2HB ASN 8 1HB ASN 8 -5.069 -17.290 -2.698 540 1HD2 ASN 8 2HD2 ASN 8 -6.245 -17.404 -4.451 541 2HD2 ASN 8 1HD2 ASN 8 -6.128 -16.362 -5.836 542 H ASN 9 H ASN 9 -4.303 -13.966 0.207 543 HA ASN 9 HA ASN 9 -3.609 -14.312 2.334 544 1HB ASN 9 2HB ASN 9 -4.964 -16.987 1.936 545 2HB ASN 9 1HB ASN 9 -4.425 -16.352 3.488 546 1HD2 ASN 9 1HD2 ASN 9 -5.429 -13.729 1.777 547 2HD2 ASN 9 2HD2 ASN 9 -7.067 -13.655 2.314 548 H ILE 10 H ILE 10 -1.614 -14.657 3.049 549 HA ILE 10 HA ILE 10 0.361 -15.947 1.621 550 HB ILE 10 HB ILE 10 1.750 -15.888 3.644 551 1HG1 ILE 10 2HG1 ILE 10 -0.160 -16.423 5.229 552 2HG1 ILE 10 1HG1 ILE 10 0.942 -15.157 5.758 553 1HG2 ILE 10 1HG2 ILE 10 1.988 -13.896 2.626 554 2HG2 ILE 10 2HG2 ILE 10 1.172 -13.306 4.077 555 3HG2 ILE 10 3HG2 ILE 10 0.253 -13.574 2.595 556 1HD1 ILE 10 1HD1 ILE 10 -1.647 -14.538 4.385 557 2HD1 ILE 10 2HD1 ILE 10 -0.626 -13.468 5.345 558 3HD1 ILE 10 3HD1 ILE 10 -1.527 -14.767 6.128 559 H ARG 11 H ARG 11 -1.811 -17.279 4.019 560 HA ARG 11 HA ARG 11 -0.466 -19.667 4.577 561 1HB ARG 11 2HB ARG 11 -2.723 -20.538 5.189 562 2HB ARG 11 1HB ARG 11 -2.336 -18.988 5.922 563 1HG ARG 11 2HG ARG 11 -3.687 -17.851 4.217 564 2HG ARG 11 1HG ARG 11 -4.093 -19.419 3.513 565 1HD ARG 11 2HD ARG 11 -4.751 -18.514 6.314 566 2HD ARG 11 1HD ARG 11 -5.881 -18.607 4.964 567 HE ARG 11 HE ARG 11 -4.708 -21.122 5.307 568 1HH1 ARG 11 1HH1 ARG 11 -6.873 -18.956 6.971 569 2HH1 ARG 11 2HH1 ARG 11 -7.729 -20.226 7.778 570 1HH2 ARG 11 1HH2 ARG 11 -5.831 -22.801 6.365 571 2HH2 ARG 11 2HH2 ARG 11 -7.138 -22.412 7.434 572 H THR 12 H THR 12 -2.964 -19.003 2.130 573 HA THR 12 HA THR 12 -2.809 -21.619 0.986 574 HB THR 12 HB THR 12 -4.034 -19.088 -0.130 575 HG1 THR 12 1HG THR 12 -5.977 -20.465 0.559 576 1HG2 THR 12 1HG2 THR 12 -5.336 -20.645 -1.557 577 2HG2 THR 12 2HG2 THR 12 -4.330 -21.972 -0.976 578 3HG2 THR 12 3HG2 THR 12 -3.608 -20.664 -1.914 579 H LEU 13 H LEU 13 -1.414 -18.473 0.224 580 HA LEU 13 HA LEU 13 -0.417 -19.073 -2.314 581 1HB LEU 13 2HB LEU 13 -0.548 -16.800 -1.346 582 2HB LEU 13 1HB LEU 13 0.778 -17.202 -0.272 583 HG LEU 13 HG LEU 13 1.016 -17.233 -3.283 584 1HD1 LEU 13 1HD1 LEU 13 2.177 -15.082 -1.583 585 2HD1 LEU 13 2HD1 LEU 13 0.482 -14.981 -2.060 586 3HD1 LEU 13 3HD1 LEU 13 1.742 -15.059 -3.292 587 1HD2 LEU 13 1HD2 LEU 13 2.691 -18.594 -2.234 588 2HD2 LEU 13 2HD2 LEU 13 3.037 -17.331 -1.048 589 3HD2 LEU 13 3HD2 LEU 13 3.444 -17.081 -2.746 590 H ARG 14 H ARG 14 1.359 -19.100 0.794 591 HA ARG 14 HA ARG 14 3.776 -20.033 -0.074 592 1HB ARG 14 1HB ARG 14 2.317 -20.765 2.464 593 2HB ARG 14 2HB ARG 14 4.008 -21.142 2.163 594 1HG ARG 14 2HG ARG 14 4.444 -18.712 1.905 595 2HG ARG 14 1HG ARG 14 2.770 -18.409 2.378 596 1HD ARG 14 2HD ARG 14 4.292 -18.181 4.280 597 2HD ARG 14 1HD ARG 14 3.156 -19.511 4.513 598 HE ARG 14 HE ARG 14 5.551 -20.464 3.355 599 1HH1 ARG 14 1HH1 ARG 14 4.242 -19.316 6.371 600 2HH1 ARG 14 2HH1 ARG 14 5.378 -20.189 7.344 601 1HH2 ARG 14 1HH2 ARG 14 7.049 -21.618 4.626 602 2HH2 ARG 14 2HH2 ARG 14 6.974 -21.497 6.353 603 H ALA 15 H ALA 15 0.815 -21.812 0.291 604 HA ALA 15 HA ALA 15 1.991 -24.410 0.019 605 1HB ALA 15 1HB ALA 15 -0.872 -23.624 -0.415 606 2HB ALA 15 2HB ALA 15 -0.164 -23.955 1.167 607 3HB ALA 15 3HB ALA 15 -0.243 -25.230 -0.049 608 H GLN 16 H GLN 16 0.148 -22.275 -2.154 609 HA GLN 16 HA GLN 16 0.319 -24.076 -4.364 610 1HB GLN 16 1HB GLN 16 -0.543 -22.212 -5.706 611 2HB GLN 16 2HB GLN 16 -1.464 -22.395 -4.218 612 1HG GLN 16 1HG GLN 16 -0.191 -20.554 -3.222 613 2HG GLN 16 2HG GLN 16 0.689 -20.358 -4.736 614 1HE2 GLN 16 2HE2 GLN 16 -1.708 -19.103 -2.956 615 2HE2 GLN 16 1HE2 GLN 16 -2.683 -18.390 -4.203 616 H ALA 17 H ALA 17 2.242 -21.507 -3.131 617 HA ALA 17 HA ALA 17 3.984 -21.384 -5.434 618 1HB ALA 17 1HB ALA 17 3.751 -19.278 -4.539 619 2HB ALA 17 2HB ALA 17 5.273 -19.815 -3.824 620 3HB ALA 17 3HB ALA 17 3.784 -19.867 -2.874 621 H ARG 18 H ARG 18 3.780 -23.042 -2.418 622 HA ARG 18 HA ARG 18 6.366 -23.444 -1.641 623 1HB ARG 18 2HB ARG 18 5.734 -25.487 -0.659 624 2HB ARG 18 1HB ARG 18 4.246 -24.553 -0.706 625 1HG ARG 18 2HG ARG 18 3.560 -25.771 -2.722 626 2HG ARG 18 1HG ARG 18 5.040 -26.725 -2.632 627 1HD ARG 18 2HD ARG 18 4.365 -27.569 -0.437 628 2HD ARG 18 1HD ARG 18 2.885 -26.616 -0.525 629 HE ARG 18 HE ARG 18 1.982 -28.316 -1.726 630 1HH1 ARG 18 1HH1 ARG 18 5.436 -28.379 -2.212 631 2HH1 ARG 18 2HH1 ARG 18 5.393 -29.774 -3.237 632 1HH2 ARG 18 1HH2 ARG 18 1.921 -30.153 -3.073 633 2HH2 ARG 18 2HH2 ARG 18 3.398 -30.782 -3.726 634 H GLU 19 H GLU 19 4.767 -24.730 -4.465 635 HA GLU 19 HA GLU 19 7.034 -26.340 -5.232 636 1HB GLU 19 2HB GLU 19 4.662 -27.065 -5.539 637 2HB GLU 19 1HB GLU 19 4.455 -25.755 -6.695 638 1HG GLU 19 2HG GLU 19 6.152 -26.712 -8.105 639 2HG GLU 19 1HG GLU 19 6.408 -28.002 -6.939 640 H SER 20 H SER 20 7.515 -23.511 -4.997 641 HA SER 20 HA SER 20 8.773 -23.034 -7.497 642 1HB SER 20 2HB SER 20 6.470 -22.457 -8.159 643 2HB SER 20 1HB SER 20 6.391 -21.279 -6.850 644 HG SER 20 HG SER 20 8.447 -21.129 -8.762 645 H THR 21 H THR 21 9.368 -20.497 -7.537 646 HA THR 21 HA THR 21 10.848 -20.065 -5.079 647 HB THR 21 HB THR 21 10.872 -18.398 -7.606 648 HG1 THR 21 1HG THR 21 12.668 -19.681 -8.185 649 1HG2 THR 21 1HG2 THR 21 12.097 -17.060 -6.266 650 2HG2 THR 21 2HG2 THR 21 13.364 -18.261 -6.513 651 3HG2 THR 21 3HG2 THR 21 12.352 -18.330 -5.070 652 H LEU 22 H LEU 22 10.999 -17.692 -4.303 653 HA LEU 22 HA LEU 22 8.511 -16.886 -3.361 654 1HB LEU 22 2HB LEU 22 9.697 -15.524 -2.053 655 2HB LEU 22 1HB LEU 22 11.113 -16.268 -2.770 656 HG LEU 22 HG LEU 22 9.828 -13.760 -3.824 657 1HD1 LEU 22 1HD1 LEU 22 10.577 -13.070 -1.756 658 2HD1 LEU 22 2HD1 LEU 22 11.972 -12.751 -2.790 659 3HD1 LEU 22 3HD1 LEU 22 11.944 -14.187 -1.766 660 1HD2 LEU 22 1HD2 LEU 22 12.656 -14.423 -4.324 661 2HD2 LEU 22 2HD2 LEU 22 11.472 -13.617 -5.355 662 3HD2 LEU 22 3HD2 LEU 22 11.445 -15.374 -5.185 663 H GLU 23 H GLU 23 9.921 -16.437 -6.397 664 HA GLU 23 HA GLU 23 9.260 -14.001 -7.339 665 1HB GLU 23 1HB GLU 23 10.190 -15.779 -8.746 666 2HB GLU 23 2HB GLU 23 8.659 -16.640 -8.699 667 1HG GLU 23 2HG GLU 23 8.819 -15.547 -10.799 668 2HG GLU 23 1HG GLU 23 7.607 -14.698 -9.841 669 H THR 24 H THR 24 7.066 -16.459 -6.264 670 HA THR 24 HA THR 24 4.665 -15.692 -7.414 671 HB THR 24 HB THR 24 4.783 -17.694 -6.067 672 HG1 THR 24 1HG THR 24 2.720 -16.996 -6.030 673 1HG2 THR 24 1HG2 THR 24 4.788 -16.283 -3.475 674 2HG2 THR 24 2HG2 THR 24 6.323 -16.298 -4.343 675 3HG2 THR 24 3HG2 THR 24 5.527 -17.818 -3.934 676 H LEU 25 H LEU 25 6.303 -14.385 -4.541 677 HA LEU 25 HA LEU 25 4.246 -12.570 -3.905 678 1HB LEU 25 2HB LEU 25 6.114 -11.325 -2.657 679 2HB LEU 25 1HB LEU 25 5.629 -12.911 -2.106 680 HG LEU 25 HG LEU 25 7.637 -13.863 -3.259 681 1HD1 LEU 25 1HD2 LEU 25 8.800 -12.634 -4.682 682 2HD1 LEU 25 2HD2 LEU 25 9.262 -11.570 -3.351 683 3HD1 LEU 25 3HD2 LEU 25 7.823 -11.210 -4.302 684 1HD2 LEU 25 1HD1 LEU 25 8.251 -13.762 -1.120 685 2HD2 LEU 25 2HD1 LEU 25 7.555 -12.156 -0.903 686 3HD2 LEU 25 3HD1 LEU 25 9.173 -12.332 -1.583 687 H GLU 26 H GLU 26 7.262 -12.160 -5.795 688 HA GLU 26 HA GLU 26 6.919 -9.445 -6.302 689 1HB GLU 26 2HB GLU 26 8.978 -10.404 -6.986 690 2HB GLU 26 1HB GLU 26 8.175 -11.617 -7.979 691 1HG GLU 26 1HG GLU 26 7.474 -9.923 -9.552 692 2HG GLU 26 2HG GLU 26 8.152 -8.657 -8.530 693 H GLU 27 H GLU 27 5.225 -12.219 -7.437 694 HA GLU 27 HA GLU 27 3.961 -10.867 -9.655 695 1HB GLU 27 2HB GLU 27 4.352 -13.289 -9.729 696 2HB GLU 27 1HB GLU 27 3.310 -13.506 -8.329 697 1HG GLU 27 2HG GLU 27 1.408 -12.671 -9.611 698 2HG GLU 27 1HG GLU 27 2.452 -12.453 -11.015 699 H MET 28 H MET 28 2.849 -12.122 -6.504 700 HA MET 28 HA MET 28 0.376 -10.625 -6.747 701 1HB MET 28 2HB MET 28 1.336 -12.449 -4.541 702 2HB MET 28 1HB MET 28 -0.278 -11.768 -4.675 703 1HG MET 28 1HG MET 28 0.945 -13.600 -6.723 704 2HG MET 28 2HG MET 28 -0.071 -14.145 -5.392 705 1HE MET 28 1HE MET 28 -1.054 -11.025 -8.337 706 2HE MET 28 2HE MET 28 -0.971 -12.466 -9.349 707 3HE MET 28 3HE MET 28 0.404 -12.018 -8.340 708 H LEU 29 H LEU 29 3.141 -10.775 -4.554 709 HA LEU 29 HA LEU 29 2.405 -8.851 -2.688 710 1HB LEU 29 1HB LEU 29 4.337 -10.354 -2.475 711 2HB LEU 29 2HB LEU 29 5.158 -9.493 -3.754 712 HG LEU 29 HG LEU 29 5.231 -7.481 -2.299 713 1HD1 LEU 29 1HD1 LEU 29 4.635 -7.567 -0.026 714 2HD1 LEU 29 2HD1 LEU 29 4.385 -9.311 -0.076 715 3HD1 LEU 29 3HD1 LEU 29 3.256 -8.236 -0.899 716 1HD2 LEU 29 1HD2 LEU 29 7.135 -8.962 -2.448 717 2HD2 LEU 29 2HD2 LEU 29 6.441 -10.023 -1.222 718 3HD2 LEU 29 3HD2 LEU 29 6.956 -8.393 -0.787 719 H GLU 30 H GLU 30 4.067 -8.416 -5.795 720 HA GLU 30 HA GLU 30 4.558 -5.662 -5.561 721 1HB GLU 30 2HB GLU 30 5.630 -7.027 -7.278 722 2HB GLU 30 1HB GLU 30 4.075 -7.314 -8.047 723 1HG GLU 30 2HG GLU 30 3.884 -4.920 -8.535 724 2HG GLU 30 1HG GLU 30 5.458 -4.652 -7.788 725 H LYS 31 H LYS 31 1.684 -7.445 -6.425 726 HA LYS 31 HA LYS 31 0.310 -5.062 -7.373 727 1HB LYS 31 2HB LYS 31 -1.015 -7.698 -6.820 728 2HB LYS 31 1HB LYS 31 -1.424 -6.485 -8.029 729 1HG LYS 31 2HG LYS 31 0.966 -8.304 -8.038 730 2HG LYS 31 1HG LYS 31 -0.444 -8.412 -9.095 731 1HD LYS 31 2HD LYS 31 0.121 -6.274 -10.103 732 2HD LYS 31 1HD LYS 31 1.482 -6.088 -8.990 733 1HE LYS 31 1HE LYS 31 2.233 -6.848 -11.184 734 2HE LYS 31 2HE LYS 31 2.548 -8.060 -9.943 735 1HZ LYS 31 1HZ LYS 31 1.650 -9.032 -11.979 736 2HZ LYS 31 2HZ LYS 31 0.246 -8.102 -11.820 737 3HZ LYS 31 3HZ LYS 31 0.613 -9.282 -10.665 738 H LEU 32 H LEU 32 0.639 -7.007 -4.560 739 HA LEU 32 HA LEU 32 -1.634 -6.075 -3.147 740 1HB LEU 32 1HB LEU 32 -0.319 -8.155 -2.665 741 2HB LEU 32 2HB LEU 32 0.945 -7.129 -2.010 742 HG LEU 32 HG LEU 32 -0.464 -6.353 -0.247 743 1HD1 LEU 32 1HD2 LEU 32 -2.585 -7.247 -2.003 744 2HD1 LEU 32 2HD2 LEU 32 -2.628 -6.087 -0.674 745 3HD1 LEU 32 3HD2 LEU 32 -2.810 -7.811 -0.346 746 1HD2 LEU 32 1HD1 LEU 32 -0.866 -9.321 -0.527 747 2HD2 LEU 32 2HD1 LEU 32 -0.873 -8.385 0.969 748 3HD2 LEU 32 3HD1 LEU 32 0.615 -8.548 0.038 749 H GLU 33 H GLU 33 1.542 -4.862 -3.762 750 HA GLU 33 HA GLU 33 1.363 -2.883 -1.639 751 1HB GLU 33 2HB GLU 33 3.527 -2.066 -2.456 752 2HB GLU 33 1HB GLU 33 3.557 -3.789 -2.127 753 1HG GLU 33 2HG GLU 33 4.729 -3.641 -4.095 754 2HG GLU 33 1HG GLU 33 3.111 -4.043 -4.658 755 H VAL 34 H VAL 34 0.970 -3.089 -5.141 756 HA VAL 34 HA VAL 34 0.682 -0.288 -5.534 757 HB VAL 34 HB VAL 34 -0.218 -0.760 -7.712 758 1HG1 VAL 34 1HG1 VAL 34 2.282 -1.464 -6.871 759 2HG1 VAL 34 2HG1 VAL 34 1.760 -1.354 -8.553 760 3HG1 VAL 34 3HG1 VAL 34 1.749 -2.912 -7.725 761 1HG2 VAL 34 1HG2 VAL 34 -0.098 -3.657 -7.651 762 2HG2 VAL 34 2HG2 VAL 34 -1.356 -2.587 -8.275 763 3HG2 VAL 34 3HG2 VAL 34 -1.326 -3.010 -6.562 764 H VAL 35 H VAL 35 -1.575 -2.920 -4.786 765 HA VAL 35 HA VAL 35 -3.970 -1.529 -5.191 766 HB VAL 35 HB VAL 35 -4.967 -2.930 -3.367 767 1HG1 VAL 35 1HG2 VAL 35 -5.353 -4.264 -5.077 768 2HG1 VAL 35 2HG2 VAL 35 -3.897 -5.152 -4.626 769 3HG1 VAL 35 3HG2 VAL 35 -3.806 -3.861 -5.829 770 1HG2 VAL 35 1HG1 VAL 35 -3.640 -4.706 -2.367 771 2HG2 VAL 35 2HG1 VAL 35 -3.030 -3.111 -1.927 772 3HG2 VAL 35 3HG1 VAL 35 -2.194 -4.069 -3.151 773 H VAL 36 H VAL 36 -1.988 -1.834 -2.251 774 HA VAL 36 HA VAL 36 -3.514 0.206 -0.920 775 HB VAL 36 HB VAL 36 -2.431 -1.653 0.326 776 1HG1 VAL 36 1HG1 VAL 36 -0.297 -2.112 -0.059 777 2HG1 VAL 36 2HG1 VAL 36 0.104 -0.645 0.833 778 3HG1 VAL 36 3HG1 VAL 36 -0.070 -0.591 -0.922 779 1HG2 VAL 36 1HG2 VAL 36 -3.029 -0.203 1.890 780 2HG2 VAL 36 2HG2 VAL 36 -2.413 1.176 0.979 781 3HG2 VAL 36 3HG2 VAL 36 -1.315 0.204 1.967 782 H ASN 37 H ASN 37 -0.858 0.158 -3.067 783 HA ASN 37 HA ASN 37 0.550 2.450 -2.255 784 1HB ASN 37 2HB ASN 37 1.345 0.946 -4.028 785 2HB ASN 37 1HB ASN 37 -0.002 1.420 -5.050 786 1HD2 ASN 37 1HD2 ASN 37 0.622 2.656 -6.619 787 2HD2 ASN 37 2HD2 ASN 37 1.811 3.918 -6.527 788 H GLU 38 H GLU 38 -2.260 2.006 -4.284 789 HA GLU 38 HA GLU 38 -2.640 4.760 -4.902 790 1HB GLU 38 2HB GLU 38 -4.612 2.469 -4.966 791 2HB GLU 38 1HB GLU 38 -4.867 4.051 -5.688 792 1HG GLU 38 1HG GLU 38 -2.693 2.122 -6.468 793 2HG GLU 38 2HG GLU 38 -4.218 2.338 -7.325 794 H ARG 39 H ARG 39 -3.965 2.566 -2.461 795 HA ARG 39 HA ARG 39 -5.734 4.532 -1.354 796 1HB ARG 39 2HB ARG 39 -4.792 1.856 -0.332 797 2HB ARG 39 1HB ARG 39 -5.911 2.885 0.543 798 1HG ARG 39 2HG ARG 39 -7.161 1.226 -0.608 799 2HG ARG 39 1HG ARG 39 -7.456 2.783 -1.382 800 1HD ARG 39 2HD ARG 39 -5.502 2.033 -2.943 801 2HD ARG 39 1HD ARG 39 -5.945 0.422 -2.376 802 HE ARG 39 HE ARG 39 -7.716 0.519 -3.794 803 1HH1 ARG 39 1HH1 ARG 39 -6.825 3.763 -2.912 804 2HH1 ARG 39 2HH1 ARG 39 -8.024 4.509 -3.920 805 1HH2 ARG 39 1HH2 ARG 39 -9.303 1.484 -5.127 806 2HH2 ARG 39 2HH2 ARG 39 -9.434 3.211 -5.179 807 H ARG 40 H ARG 40 -2.631 3.180 -0.358 808 HA ARG 40 HA ARG 40 -2.206 4.395 2.042 809 1HB ARG 40 2HB ARG 40 -0.477 3.402 -0.116 810 2HB ARG 40 1HB ARG 40 0.275 4.666 0.846 811 1HG ARG 40 2HG ARG 40 -0.810 2.037 1.822 812 2HG ARG 40 1HG ARG 40 0.886 2.524 1.723 813 1HD ARG 40 2HD ARG 40 -1.244 3.719 3.504 814 2HD ARG 40 1HD ARG 40 0.101 2.698 4.011 815 HE ARG 40 HE ARG 40 1.143 4.927 2.683 816 1HH1 ARG 40 1HH1 ARG 40 -0.567 4.152 5.619 817 2HH1 ARG 40 2HH1 ARG 40 0.101 5.476 6.511 818 1HH2 ARG 40 1HH2 ARG 40 2.028 6.674 3.850 819 2HH2 ARG 40 2HH2 ARG 40 1.575 6.911 5.506 820 H GLU 41 H GLU 41 -1.839 5.782 -1.183 821 HA GLU 41 HA GLU 41 -1.050 8.362 -0.113 822 1HB GLU 41 2HB GLU 41 -1.596 7.487 -2.950 823 2HB GLU 41 1HB GLU 41 -0.943 9.051 -2.478 824 1HG GLU 41 2HG GLU 41 0.364 6.379 -2.014 825 2HG GLU 41 1HG GLU 41 0.805 7.553 -3.253 826 H GLU 42 H GLU 42 -3.900 7.046 -1.822 827 HA GLU 42 HA GLU 42 -5.244 9.607 -1.700 828 1HB GLU 42 2HB GLU 42 -6.200 6.922 -2.695 829 2HB GLU 42 1HB GLU 42 -7.092 8.429 -2.846 830 1HG GLU 42 2HG GLU 42 -5.303 9.353 -4.224 831 2HG GLU 42 1HG GLU 42 -4.406 7.842 -4.071 832 H GLU 43 H GLU 43 -5.661 6.416 -0.249 833 HA GLU 43 HA GLU 43 -8.029 6.907 1.133 834 1HB GLU 43 2HB GLU 43 -6.826 4.689 0.832 835 2HB GLU 43 1HB GLU 43 -5.801 5.173 2.175 836 1HG GLU 43 2HG GLU 43 -8.791 5.064 2.387 837 2HG GLU 43 1HG GLU 43 -7.762 3.670 2.706 838 H SER 44 H SER 44 -4.656 7.308 2.176 839 HA SER 44 HA SER 44 -5.154 8.239 4.762 840 1HB SER 44 1HB SER 44 -2.894 7.646 3.977 841 2HB SER 44 2HB SER 44 -2.908 9.028 2.882 842 HG SER 44 HG SER 44 -1.809 9.451 4.867 843 H ALA 45 H ALA 45 -5.274 9.755 1.650 844 HA ALA 45 HA ALA 45 -5.460 12.455 2.479 845 1HB ALA 45 1HB ALA 45 -6.784 12.365 0.092 846 2HB ALA 45 2HB ALA 45 -5.774 10.917 0.002 847 3HB ALA 45 3HB ALA 45 -5.034 12.501 0.273 848 H ALA 46 H ALA 46 -7.862 9.957 1.722 849 HA ALA 46 HA ALA 46 -10.153 11.575 2.070 850 1HB ALA 46 1HB ALA 46 -9.759 8.591 2.223 851 2HB ALA 46 2HB ALA 46 -10.372 9.533 0.863 852 3HB ALA 46 3HB ALA 46 -11.337 9.370 2.330 853 H ALA 47 H ALA 47 -8.332 9.492 4.263 854 HA ALA 47 HA ALA 47 -10.103 9.801 6.472 855 1HB ALA 47 1HB ALA 47 -7.830 9.054 7.670 856 2HB ALA 47 2HB ALA 47 -7.447 8.589 6.013 857 3HB ALA 47 3HB ALA 47 -8.877 7.927 6.807 858 H ALA 48 H ALA 48 -7.104 11.387 5.490 859 HA ALA 48 HA ALA 48 -6.626 12.903 7.769 860 1HB ALA 48 1HB ALA 48 -5.997 13.423 4.876 861 2HB ALA 48 2HB ALA 48 -4.929 12.798 6.133 862 3HB ALA 48 3HB ALA 48 -5.453 14.482 6.177 863 H GLU 49 H GLU 49 -8.522 13.756 4.875 864 HA GLU 49 HA GLU 49 -9.264 16.319 5.854 865 1HB GLU 49 1HB GLU 49 -10.942 16.290 4.025 866 2HB GLU 49 2HB GLU 49 -9.318 15.892 3.481 867 1HG GLU 49 1HG GLU 49 -9.900 13.522 3.469 868 2HG GLU 49 2HG GLU 49 -11.529 13.922 4.015 869 H VAL 50 H VAL 50 -11.056 13.255 5.614 870 HA VAL 50 HA VAL 50 -13.104 12.658 6.487 871 HB VAL 50 HB VAL 50 -11.385 12.017 8.159 872 1HG1 VAL 50 1HG1 VAL 50 -11.054 13.292 10.166 873 2HG1 VAL 50 2HG1 VAL 50 -12.234 14.495 9.648 874 3HG1 VAL 50 3HG1 VAL 50 -10.712 14.320 8.775 875 1HG2 VAL 50 1HG2 VAL 50 -13.327 12.367 10.121 876 2HG2 VAL 50 2HG2 VAL 50 -13.151 10.994 9.028 877 3HG2 VAL 50 3HG2 VAL 50 -14.216 12.332 8.599 878 H GLU 51 H GLU 51 -13.353 15.247 5.484 879 HA GLU 51 HA GLU 51 -14.769 17.024 5.520 880 1HB GLU 51 2HB GLU 51 -16.066 15.515 7.797 881 2HB GLU 51 1HB GLU 51 -16.766 16.903 6.975 882 1HG GLU 51 1HG GLU 51 -16.104 14.262 5.689 883 2HG GLU 51 2HG GLU 51 -17.709 14.785 6.198 884 H GLU 52 H GLU 52 -14.983 19.051 6.478 885 HA GLU 52 HA GLU 52 -14.214 19.502 9.208 886 1HB GLU 52 2HB GLU 52 -12.005 19.232 8.185 887 2HB GLU 52 1HB GLU 52 -12.393 20.467 6.995 888 1HG GLU 52 1HG GLU 52 -12.563 22.132 8.770 889 2HG GLU 52 2HG GLU 52 -12.178 20.895 9.966 890 H ARG 53 H ARG 53 -14.661 20.972 6.006 891 HA ARG 53 HA ARG 53 -16.766 22.641 6.872 892 1HB ARG 53 2HB ARG 53 -14.961 23.863 7.996 893 2HB ARG 53 1HB ARG 53 -14.105 24.020 6.468 894 1HG ARG 53 1HG ARG 53 -15.934 25.372 5.577 895 2HG ARG 53 2HG ARG 53 -16.793 25.214 7.111 896 1HD ARG 53 1HD ARG 53 -14.945 26.338 8.259 897 2HD ARG 53 2HD ARG 53 -14.095 26.502 6.723 898 HE ARG 53 HE ARG 53 -16.079 28.226 7.714 899 1HH1 ARG 53 1HH1 ARG 53 -15.108 26.670 4.748 900 2HH1 ARG 53 2HH1 ARG 53 -15.794 27.892 3.733 901 1HH2 ARG 53 1HH2 ARG 53 -16.983 29.839 6.383 902 2HH2 ARG 53 2HH2 ARG 53 -16.858 29.693 4.661 903 H THR 54 H THR 54 -14.052 22.510 4.572 904 HA THR 54 HA THR 54 -15.547 23.657 2.431 905 HB THR 54 HB THR 54 -13.071 21.967 2.084 906 HG1 THR 54 1HG THR 54 -11.906 23.510 2.983 907 1HG2 THR 54 1HG2 THR 54 -13.253 24.444 0.597 908 2HG2 THR 54 2HG2 THR 54 -14.663 23.424 0.311 909 3HG2 THR 54 3HG2 THR 54 -13.043 22.796 0.006 910 H ARG 55 H ARG 55 -14.219 21.284 0.742 911 HA ARG 55 HA ARG 55 -15.067 19.539 -0.442 912 1HB ARG 55 2HB ARG 55 -16.030 18.804 2.326 913 2HB ARG 55 1HB ARG 55 -16.109 17.722 0.944 914 1HG ARG 55 2HG ARG 55 -14.191 17.144 2.228 915 2HG ARG 55 1HG ARG 55 -13.635 17.908 0.738 916 1HD ARG 55 2HD ARG 55 -13.339 20.023 1.948 917 2HD ARG 55 1HD ARG 55 -13.861 19.234 3.437 918 HE ARG 55 HE ARG 55 -11.727 18.493 3.670 919 1HH1 ARG 55 1HH1 ARG 55 -12.323 18.989 0.270 920 2HH1 ARG 55 2HH1 ARG 55 -10.720 18.537 -0.205 921 1HH2 ARG 55 1HH2 ARG 55 -9.618 17.897 3.049 922 2HH2 ARG 55 2HH2 ARG 55 -9.183 17.917 1.373 923 H LYS 56 H LYS 56 -16.602 21.792 -0.705 924 HA LYS 56 HA LYS 56 -19.048 20.741 -1.640 925 1HB LYS 56 1HB LYS 56 -19.637 20.734 0.740 926 2HB LYS 56 2HB LYS 56 -19.233 22.442 0.855 927 1HG LYS 56 2HG LYS 56 -21.041 22.977 -0.700 928 2HG LYS 56 1HG LYS 56 -21.446 21.262 -0.813 929 1HD LYS 56 1HD LYS 56 -21.936 21.218 1.584 930 2HD LYS 56 2HD LYS 56 -21.530 22.932 1.698 931 1HE LYS 56 1HE LYS 56 -23.349 23.465 0.152 932 2HE LYS 56 2HE LYS 56 -23.755 21.752 0.039 933 1HZ LYS 56 1HZ LYS 56 -23.672 22.522 2.746 934 2HZ LYS 56 2HZ LYS 56 -24.982 21.934 1.854 935 3HZ LYS 56 3HZ LYS 56 -24.672 23.595 1.903 936 H LEU 57 H LEU 57 -17.414 23.655 -0.460 937 HA LEU 57 HA LEU 57 -17.661 24.933 -3.003 938 1HB LEU 57 2HB LEU 57 -19.045 26.772 -2.385 939 2HB LEU 57 1HB LEU 57 -19.908 25.293 -2.013 940 HG LEU 57 HG LEU 57 -18.433 26.939 0.040 941 1HD1 LEU 57 1HD2 LEU 57 -20.809 27.582 -1.267 942 2HD1 LEU 57 2HD2 LEU 57 -20.187 28.282 0.227 943 3HD1 LEU 57 3HD2 LEU 57 -21.300 26.916 0.291 944 1HD2 LEU 57 1HD1 LEU 57 -18.684 24.578 0.624 945 2HD2 LEU 57 2HD1 LEU 57 -20.420 24.690 0.337 946 3HD2 LEU 57 3HD1 LEU 57 -19.684 25.607 1.651 Start of MODEL 17 1 H SER 1 1HT SER 1 2.581 5.670 -0.318 2 HA SER 1 HA SER 1 4.889 4.889 -0.283 3 1HB SER 1 2HB SER 1 5.561 6.330 1.614 4 2HB SER 1 1HB SER 1 4.267 7.063 0.667 5 HG SER 1 HG SER 1 4.220 6.030 3.254 6 H GLU 2 H GLU 2 3.028 3.990 2.606 7 HA GLU 2 HA GLU 2 5.128 2.479 3.787 8 1HB GLU 2 1HB GLU 2 3.286 3.417 5.117 9 2HB GLU 2 2HB GLU 2 2.146 2.367 4.285 10 1HG GLU 2 2HG GLU 2 3.247 0.408 5.213 11 2HG GLU 2 1HG GLU 2 4.429 1.440 6.016 12 H ALA 3 H ALA 3 2.859 1.868 1.310 13 HA ALA 3 HA ALA 3 2.767 -0.988 1.536 14 1HB ALA 3 1HB ALA 3 0.997 0.340 0.425 15 2HB ALA 3 2HB ALA 3 1.651 -0.932 -0.608 16 3HB ALA 3 3HB ALA 3 2.140 0.743 -0.855 17 H LEU 4 H LEU 4 4.884 1.307 0.259 18 HA LEU 4 HA LEU 4 6.244 -0.441 -1.584 19 1HB LEU 4 1HB LEU 4 6.766 2.342 -0.549 20 2HB LEU 4 2HB LEU 4 7.787 1.550 -1.736 21 HG LEU 4 HG LEU 4 6.095 1.637 -3.397 22 1HD1 LEU 4 1HD2 LEU 4 4.086 1.002 -2.458 23 2HD1 LEU 4 2HD2 LEU 4 3.826 2.728 -2.710 24 3HD1 LEU 4 3HD2 LEU 4 4.239 2.125 -1.104 25 1HD2 LEU 4 1HD1 LEU 4 6.698 3.755 -3.660 26 2HD2 LEU 4 2HD1 LEU 4 6.824 3.998 -1.916 27 3HD2 LEU 4 3HD1 LEU 4 5.269 4.200 -2.724 28 H LYS 5 H LYS 5 6.845 1.102 1.514 29 HA LYS 5 HA LYS 5 9.386 -0.168 1.920 30 1HB LYS 5 1HB LYS 5 8.969 2.090 2.760 31 2HB LYS 5 2HB LYS 5 7.670 1.486 3.780 32 1HG LYS 5 2HG LYS 5 9.794 1.915 4.982 33 2HG LYS 5 1HG LYS 5 9.209 0.253 5.128 34 1HD LYS 5 1HD LYS 5 10.747 -0.455 3.382 35 2HD LYS 5 2HD LYS 5 11.326 1.203 3.204 36 1HE LYS 5 2HE LYS 5 12.864 -0.129 4.560 37 2HE LYS 5 1HE LYS 5 12.150 1.182 5.497 38 1HZ LYS 5 1HZ LYS 5 11.677 -0.403 6.970 39 2HZ LYS 5 2HZ LYS 5 11.930 -1.659 5.866 40 3HZ LYS 5 3HZ LYS 5 10.437 -0.868 5.916 41 H ILE 6 H ILE 6 6.097 -0.887 2.673 42 HA ILE 6 HA ILE 6 6.310 -2.437 4.959 43 HB ILE 6 HB ILE 6 4.149 -1.831 3.950 44 1HG1 ILE 6 1HG1 ILE 6 4.585 -3.965 5.361 45 2HG1 ILE 6 2HG1 ILE 6 3.015 -3.754 4.601 46 1HG2 ILE 6 1HG2 ILE 6 4.620 -3.926 1.858 47 2HG2 ILE 6 2HG2 ILE 6 4.984 -2.221 1.595 48 3HG2 ILE 6 3HG2 ILE 6 3.331 -2.726 1.949 49 1HD1 ILE 6 1HD1 ILE 6 4.649 -5.971 4.458 50 2HD1 ILE 6 2HD1 ILE 6 4.898 -5.167 2.908 51 3HD1 ILE 6 3HD1 ILE 6 3.271 -5.619 3.417 52 H LEU 7 H LEU 7 6.576 -3.327 1.591 53 HA LEU 7 HA LEU 7 7.702 -5.916 2.330 54 1HB LEU 7 2HB LEU 7 6.601 -6.768 0.572 55 2HB LEU 7 1HB LEU 7 5.752 -5.235 0.501 56 HG LEU 7 HG LEU 7 7.840 -4.570 -1.009 57 1HD1 LEU 7 1HD1 LEU 7 8.083 -7.426 -0.723 58 2HD1 LEU 7 2HD1 LEU 7 9.165 -6.280 -1.513 59 3HD1 LEU 7 3HD1 LEU 7 7.815 -6.982 -2.412 60 1HD2 LEU 7 1HD2 LEU 7 5.254 -5.882 -1.622 61 2HD2 LEU 7 2HD2 LEU 7 6.395 -5.619 -2.942 62 3HD2 LEU 7 3HD2 LEU 7 5.818 -4.251 -1.988 63 H ASN 8 H ASN 8 8.509 -2.832 1.373 64 HA ASN 8 HA ASN 8 10.489 -1.848 0.786 65 1HB ASN 8 1HB ASN 8 11.709 -4.605 1.081 66 2HB ASN 8 2HB ASN 8 12.577 -3.072 1.051 67 1HD2 ASN 8 2HD2 ASN 8 11.508 -5.434 3.009 68 2HD2 ASN 8 1HD2 ASN 8 11.368 -4.550 4.500 69 H ASN 9 H ASN 9 8.670 -3.215 -1.141 70 HA ASN 9 HA ASN 9 8.508 -3.494 -3.386 71 1HB ASN 9 2HB ASN 9 11.286 -2.302 -3.386 72 2HB ASN 9 1HB ASN 9 10.305 -2.565 -4.826 73 1HD2 ASN 9 2HD2 ASN 9 8.160 -1.819 -2.485 74 2HD2 ASN 9 1HD2 ASN 9 8.062 -0.110 -2.704 75 H ILE 10 H ILE 10 8.633 -5.223 -4.639 76 HA ILE 10 HA ILE 10 10.001 -7.543 -3.914 77 HB ILE 10 HB ILE 10 9.364 -8.459 -6.076 78 1HG1 ILE 10 2HG1 ILE 10 9.794 -6.376 -7.405 79 2HG1 ILE 10 1HG1 ILE 10 8.266 -7.162 -7.779 80 1HG2 ILE 10 1HG2 ILE 10 7.585 -8.766 -4.745 81 2HG2 ILE 10 2HG2 ILE 10 6.827 -7.606 -5.840 82 3HG2 ILE 10 3HG2 ILE 10 7.484 -7.061 -4.296 83 1HD1 ILE 10 1HD1 ILE 10 8.099 -4.714 -7.685 84 2HD1 ILE 10 2HD1 ILE 10 8.563 -4.766 -5.985 85 3HD1 ILE 10 3HD1 ILE 10 7.053 -5.513 -6.511 86 H ARG 11 H ARG 11 11.138 -4.815 -5.702 87 HA ARG 11 HA ARG 11 13.044 -6.020 -7.350 88 1HB ARG 11 1HB ARG 11 14.193 -3.819 -7.321 89 2HB ARG 11 2HB ARG 11 12.470 -3.704 -7.646 90 1HG ARG 11 1HG ARG 11 12.100 -3.079 -5.287 91 2HG ARG 11 2HG ARG 11 13.847 -3.110 -5.037 92 1HD ARG 11 1HD ARG 11 13.081 -0.839 -5.415 93 2HD ARG 11 2HD ARG 11 14.122 -1.372 -6.734 94 HE ARG 11 HE ARG 11 11.459 -1.889 -7.430 95 1HH1 ARG 11 1HH1 ARG 11 13.597 0.810 -6.899 96 2HH1 ARG 11 2HH1 ARG 11 12.753 1.858 -7.990 97 1HH2 ARG 11 1HH2 ARG 11 10.342 -0.517 -8.868 98 2HH2 ARG 11 2HH2 ARG 11 10.904 1.104 -9.108 99 H THR 12 H THR 12 13.590 -4.580 -4.111 100 HA THR 12 HA THR 12 16.190 -5.858 -3.979 101 HB THR 12 HB THR 12 15.958 -3.594 -3.056 102 HG1 THR 12 1HG THR 12 16.394 -5.432 -0.929 103 1HG2 THR 12 1HG2 THR 12 13.565 -4.554 -2.002 104 2HG2 THR 12 2HG2 THR 12 14.293 -2.974 -1.708 105 3HG2 THR 12 3HG2 THR 12 14.610 -4.310 -0.602 106 H LEU 13 H LEU 13 12.966 -6.290 -2.775 107 HA LEU 13 HA LEU 13 13.468 -8.056 -0.664 108 1HB LEU 13 2HB LEU 13 11.318 -7.018 -0.924 109 2HB LEU 13 1HB LEU 13 11.088 -7.768 -2.488 110 HG LEU 13 HG LEU 13 9.836 -8.707 -0.417 111 1HD1 LEU 13 1HD1 LEU 13 9.484 -9.887 -2.344 112 2HD1 LEU 13 2HD1 LEU 13 10.317 -11.098 -1.365 113 3HD1 LEU 13 3HD1 LEU 13 11.204 -10.200 -2.598 114 1HD2 LEU 13 1HD2 LEU 13 12.414 -10.231 -0.113 115 2HD2 LEU 13 2HD2 LEU 13 10.962 -10.329 0.888 116 3HD2 LEU 13 3HD2 LEU 13 11.962 -8.877 0.926 117 H ARG 14 H ARG 14 12.825 -8.663 -4.082 118 HA ARG 14 HA ARG 14 12.774 -11.409 -4.136 119 1HB ARG 14 1HB ARG 14 12.266 -10.125 -6.102 120 2HB ARG 14 2HB ARG 14 13.878 -9.425 -6.129 121 1HG ARG 14 1HG ARG 14 13.734 -11.066 -7.850 122 2HG ARG 14 2HG ARG 14 14.790 -11.690 -6.579 123 1HD ARG 14 1HD ARG 14 12.886 -12.957 -5.669 124 2HD ARG 14 2HD ARG 14 11.894 -12.389 -7.010 125 HE ARG 14 HE ARG 14 13.633 -14.583 -7.065 126 1HH1 ARG 14 1HH1 ARG 14 12.787 -11.816 -9.012 127 2HH1 ARG 14 2HH1 ARG 14 13.203 -12.582 -10.508 128 1HH2 ARG 14 1HH2 ARG 14 14.179 -15.597 -9.031 129 2HH2 ARG 14 2HH2 ARG 14 13.993 -14.730 -10.519 130 H ALA 15 H ALA 15 15.537 -9.258 -3.977 131 HA ALA 15 HA ALA 15 17.439 -11.416 -4.303 132 1HB ALA 15 1HB ALA 15 17.758 -9.085 -5.182 133 2HB ALA 15 2HB ALA 15 19.111 -9.758 -4.273 134 3HB ALA 15 3HB ALA 15 18.033 -8.588 -3.512 135 H GLN 16 H GLN 16 16.507 -9.177 -1.693 136 HA GLN 16 HA GLN 16 18.346 -10.174 0.198 137 1HB GLN 16 1HB GLN 16 16.882 -9.108 1.897 138 2HB GLN 16 2HB GLN 16 17.254 -8.034 0.553 139 1HG GLN 16 1HG GLN 16 15.089 -8.529 -0.442 140 2HG GLN 16 2HG GLN 16 14.710 -9.599 0.905 141 1HE2 GLN 16 1HE2 GLN 16 13.201 -8.672 2.070 142 2HE2 GLN 16 2HE2 GLN 16 13.195 -7.019 2.605 143 H ALA 17 H ALA 17 15.171 -11.141 -0.771 144 HA ALA 17 HA ALA 17 14.932 -13.134 1.321 145 1HB ALA 17 1HB ALA 17 12.890 -13.699 -0.297 146 2HB ALA 17 2HB ALA 17 13.174 -12.018 -0.769 147 3HB ALA 17 3HB ALA 17 12.829 -12.418 0.917 148 H ARG 18 H ARG 18 16.026 -12.838 -1.923 149 HA ARG 18 HA ARG 18 15.690 -15.348 -2.996 150 1HB ARG 18 1HB ARG 18 16.795 -13.443 -4.151 151 2HB ARG 18 2HB ARG 18 18.224 -13.697 -3.158 152 1HG ARG 18 1HG ARG 18 18.539 -14.669 -5.344 153 2HG ARG 18 2HG ARG 18 18.478 -15.941 -4.122 154 1HD ARG 18 1HD ARG 18 16.127 -16.355 -4.684 155 2HD ARG 18 2HD ARG 18 16.206 -15.098 -5.918 156 HE ARG 18 HE ARG 18 17.009 -17.775 -6.217 157 1HH1 ARG 18 1HH1 ARG 18 18.043 -14.547 -7.033 158 2HH1 ARG 18 2HH1 ARG 18 18.915 -15.046 -8.443 159 1HH2 ARG 18 1HH2 ARG 18 18.155 -18.437 -8.074 160 2HH2 ARG 18 2HH2 ARG 18 18.978 -17.255 -9.034 161 H GLU 19 H GLU 19 17.841 -14.317 -0.456 162 HA GLU 19 HA GLU 19 19.278 -16.825 -0.385 163 1HB GLU 19 1HB GLU 19 19.315 -14.476 1.515 164 2HB GLU 19 2HB GLU 19 20.408 -15.851 1.583 165 1HG GLU 19 1HG GLU 19 20.188 -13.929 -0.722 166 2HG GLU 19 2HG GLU 19 21.416 -13.868 0.540 167 H SER 20 H SER 20 16.316 -16.794 0.063 168 HA SER 20 HA SER 20 16.320 -18.601 2.292 169 1HB SER 20 1HB SER 20 14.709 -17.370 3.684 170 2HB SER 20 2HB SER 20 16.207 -16.460 3.498 171 HG SER 20 HG SER 20 13.949 -16.047 1.843 172 H THR 21 H THR 21 13.473 -18.269 2.824 173 HA THR 21 HA THR 21 12.449 -19.513 0.372 174 HB THR 21 HB THR 21 10.625 -20.387 1.811 175 HG1 THR 21 1HG THR 21 11.493 -20.162 4.208 176 1HG2 THR 21 1HG2 THR 21 12.196 -21.839 3.278 177 2HG2 THR 21 2HG2 THR 21 13.494 -20.985 2.443 178 3HG2 THR 21 3HG2 THR 21 12.334 -21.941 1.521 179 H LEU 22 H LEU 22 9.946 -19.200 0.170 180 HA LEU 22 HA LEU 22 9.522 -16.453 -0.334 181 1HB LEU 22 1HB LEU 22 7.901 -17.199 -1.658 182 2HB LEU 22 2HB LEU 22 8.389 -18.820 -1.210 183 HG LEU 22 HG LEU 22 6.345 -17.294 0.370 184 1HD1 LEU 22 1HD1 LEU 22 4.621 -18.425 -0.921 185 2HD1 LEU 22 2HD1 LEU 22 5.854 -19.117 -1.975 186 3HD1 LEU 22 3HD1 LEU 22 5.594 -17.370 -1.947 187 1HD2 LEU 22 1HD2 LEU 22 5.826 -19.286 1.376 188 2HD2 LEU 22 2HD2 LEU 22 7.569 -19.449 1.160 189 3HD2 LEU 22 3HD2 LEU 22 6.464 -20.251 0.042 190 H GLU 23 H GLU 23 9.172 -18.368 2.433 191 HA GLU 23 HA GLU 23 7.000 -17.524 3.798 192 1HB GLU 23 2HB GLU 23 8.718 -19.021 4.735 193 2HB GLU 23 1HB GLU 23 9.804 -17.652 4.927 194 1HG GLU 23 2HG GLU 23 8.258 -16.636 6.513 195 2HG GLU 23 1HG GLU 23 7.155 -17.997 6.314 196 H THR 24 H THR 24 9.707 -15.593 2.827 197 HA THR 24 HA THR 24 9.523 -13.402 4.518 198 HB THR 24 HB THR 24 11.334 -13.539 2.935 199 HG1 THR 24 1HG THR 24 10.311 -11.344 1.753 200 1HG2 THR 24 1HG2 THR 24 10.845 -13.040 0.493 201 2HG2 THR 24 2HG2 THR 24 9.160 -13.405 0.861 202 3HG2 THR 24 3HG2 THR 24 10.396 -14.645 1.071 203 H LEU 25 H LEU 25 7.653 -14.168 1.596 204 HA LEU 25 HA LEU 25 6.178 -11.759 1.625 205 1HB LEU 25 1HB LEU 25 4.503 -13.074 0.217 206 2HB LEU 25 2HB LEU 25 6.099 -12.800 -0.438 207 HG LEU 25 HG LEU 25 6.712 -15.136 0.166 208 1HD1 LEU 25 1HD2 LEU 25 5.452 -16.325 1.540 209 2HD1 LEU 25 2HD2 LEU 25 4.154 -16.297 0.341 210 3HD1 LEU 25 3HD2 LEU 25 4.231 -15.045 1.581 211 1HD2 LEU 25 1HD1 LEU 25 6.210 -15.332 -1.991 212 2HD2 LEU 25 2HD1 LEU 25 4.829 -14.244 -1.847 213 3HD2 LEU 25 3HD1 LEU 25 4.645 -15.958 -1.473 214 H GLU 26 H GLU 26 5.554 -14.991 2.960 215 HA GLU 26 HA GLU 26 2.988 -14.503 3.910 216 1HB GLU 26 1HB GLU 26 3.838 -16.726 4.022 217 2HB GLU 26 2HB GLU 26 5.208 -16.230 5.015 218 1HG GLU 26 2HG GLU 26 3.679 -15.724 6.857 219 2HG GLU 26 1HG GLU 26 2.317 -16.228 5.858 220 H GLU 27 H GLU 27 6.071 -13.348 4.908 221 HA GLU 27 HA GLU 27 5.153 -12.357 7.469 222 1HB GLU 27 2HB GLU 27 7.725 -11.845 5.965 223 2HB GLU 27 1HB GLU 27 7.395 -11.339 7.615 224 1HG GLU 27 2HG GLU 27 7.524 -14.180 6.636 225 2HG GLU 27 1HG GLU 27 8.775 -13.338 7.548 226 H MET 28 H MET 28 6.297 -10.864 4.430 227 HA MET 28 HA MET 28 5.222 -8.305 5.270 228 1HB MET 28 1HB MET 28 6.269 -7.437 3.201 229 2HB MET 28 2HB MET 28 7.399 -8.261 4.264 230 1HG MET 28 1HG MET 28 7.178 -10.280 2.845 231 2HG MET 28 2HG MET 28 6.179 -9.340 1.737 232 1HE MET 28 1HE MET 28 9.400 -9.506 3.665 233 2HE MET 28 2HE MET 28 9.561 -7.755 3.532 234 3HE MET 28 3HE MET 28 10.633 -8.811 2.612 235 H LEU 29 H LEU 29 4.709 -10.602 2.619 236 HA LEU 29 HA LEU 29 2.780 -9.225 1.134 237 1HB LEU 29 1HB LEU 29 3.862 -11.327 0.445 238 2HB LEU 29 2HB LEU 29 2.995 -12.192 1.695 239 HG LEU 29 HG LEU 29 0.864 -11.575 0.507 240 1HD1 LEU 29 1HD1 LEU 29 2.079 -9.727 -0.824 241 2HD1 LEU 29 2HD1 LEU 29 0.864 -10.712 -1.643 242 3HD1 LEU 29 3HD1 LEU 29 2.577 -11.046 -1.883 243 1HD2 LEU 29 1HD2 LEU 29 1.570 -13.784 0.285 244 2HD2 LEU 29 2HD2 LEU 29 2.979 -13.334 -0.676 245 3HD2 LEU 29 3HD2 LEU 29 1.363 -13.238 -1.380 246 H GLU 30 H GLU 30 2.391 -11.266 4.006 247 HA GLU 30 HA GLU 30 -0.423 -11.247 4.099 248 1HB GLU 30 1HB GLU 30 0.857 -12.841 5.398 249 2HB GLU 30 2HB GLU 30 1.607 -11.543 6.318 250 1HG GLU 30 1HG GLU 30 -0.564 -10.959 7.268 251 2HG GLU 30 2HG GLU 30 -1.317 -12.259 6.347 252 H LYS 31 H LYS 31 1.971 -8.962 5.261 253 HA LYS 31 HA LYS 31 -0.018 -7.402 6.698 254 1HB LYS 31 2HB LYS 31 2.793 -6.509 6.133 255 2HB LYS 31 1HB LYS 31 1.766 -6.115 7.508 256 1HG LYS 31 1HG LYS 31 3.024 -8.780 6.920 257 2HG LYS 31 2HG LYS 31 3.525 -7.638 8.170 258 1HD LYS 31 2HD LYS 31 1.449 -7.941 9.350 259 2HD LYS 31 1HD LYS 31 0.802 -8.932 8.039 260 1HE LYS 31 1HE LYS 31 1.542 -10.318 9.905 261 2HE LYS 31 2HE LYS 31 2.505 -10.624 8.459 262 1HZ LYS 31 1HZ LYS 31 3.538 -10.153 10.879 263 2HZ LYS 31 2HZ LYS 31 3.560 -8.590 10.231 264 3HZ LYS 31 3HZ LYS 31 4.356 -9.848 9.429 265 H LEU 32 H LEU 32 1.629 -7.489 3.699 266 HA LEU 32 HA LEU 32 1.089 -4.851 2.833 267 1HB LEU 32 2HB LEU 32 2.840 -6.262 1.869 268 2HB LEU 32 1HB LEU 32 1.617 -7.358 1.252 269 HG LEU 32 HG LEU 32 0.784 -5.645 -0.253 270 1HD1 LEU 32 1HD2 LEU 32 1.691 -3.859 1.594 271 2HD1 LEU 32 2HD2 LEU 32 1.157 -3.453 -0.037 272 3HD1 LEU 32 3HD2 LEU 32 2.874 -3.676 0.299 273 1HD2 LEU 32 1HD1 LEU 32 2.725 -6.978 -0.962 274 2HD2 LEU 32 2HD1 LEU 32 3.794 -5.716 -0.348 275 3HD2 LEU 32 3HD1 LEU 32 2.703 -5.373 -1.691 276 H GLU 33 H GLU 33 -0.732 -7.776 3.052 277 HA GLU 33 HA GLU 33 -2.776 -6.807 1.213 278 1HB GLU 33 2HB GLU 33 -3.931 -8.858 1.558 279 2HB GLU 33 1HB GLU 33 -2.229 -9.255 1.388 280 1HG GLU 33 1HG GLU 33 -1.996 -9.738 3.669 281 2HG GLU 33 2HG GLU 33 -3.501 -8.917 4.083 282 H VAL 34 H VAL 34 -2.305 -7.335 4.694 283 HA VAL 34 HA VAL 34 -4.883 -6.582 5.499 284 HB VAL 34 HB VAL 34 -4.011 -6.180 7.709 285 1HG1 VAL 34 1HG1 VAL 34 -2.284 -8.448 6.978 286 2HG1 VAL 34 2HG1 VAL 34 -3.965 -8.557 6.452 287 3HG1 VAL 34 3HG1 VAL 34 -3.588 -8.343 8.160 288 1HG2 VAL 34 1HG2 VAL 34 -1.217 -6.747 7.244 289 2HG2 VAL 34 2HG2 VAL 34 -1.970 -5.445 8.166 290 3HG2 VAL 34 3HG2 VAL 34 -1.734 -5.273 6.426 291 H VAL 35 H VAL 35 -2.006 -4.672 4.719 292 HA VAL 35 HA VAL 35 -2.917 -2.204 5.700 293 HB VAL 35 HB VAL 35 -1.560 -1.130 3.878 294 1HG1 VAL 35 1HG2 VAL 35 -0.125 -1.263 5.576 295 2HG1 VAL 35 2HG2 VAL 35 0.606 -2.572 4.645 296 3HG1 VAL 35 3HG2 VAL 35 -0.545 -2.940 5.932 297 1HG2 VAL 35 1HG1 VAL 35 -0.071 -2.645 2.576 298 2HG2 VAL 35 2HG1 VAL 35 -1.774 -2.696 2.116 299 3HG2 VAL 35 3HG1 VAL 35 -1.087 -3.987 3.101 300 H VAL 36 H VAL 36 -3.370 -3.772 2.534 301 HA VAL 36 HA VAL 36 -5.210 -1.728 1.697 302 HB VAL 36 HB VAL 36 -5.687 -3.940 0.062 303 1HG1 VAL 36 1HG2 VAL 36 -3.753 -1.877 -0.790 304 2HG1 VAL 36 2HG2 VAL 36 -5.338 -1.328 -0.232 305 3HG1 VAL 36 3HG2 VAL 36 -5.216 -2.464 -1.578 306 1HG2 VAL 36 1HG1 VAL 36 -3.341 -4.381 -0.771 307 2HG2 VAL 36 2HG1 VAL 36 -3.796 -5.158 0.745 308 3HG2 VAL 36 3HG1 VAL 36 -2.780 -3.719 0.765 309 H ASN 37 H ASN 37 -5.420 -4.599 3.558 310 HA ASN 37 HA ASN 37 -8.070 -5.359 3.013 311 1HB ASN 37 1HB ASN 37 -6.638 -6.767 4.395 312 2HB ASN 37 2HB ASN 37 -6.505 -5.496 5.608 313 1HD2 ASN 37 1HD2 ASN 37 -7.649 -5.897 7.331 314 2HD2 ASN 37 2HD2 ASN 37 -9.192 -6.691 7.381 315 H GLU 38 H GLU 38 -6.652 -2.882 5.019 316 HA GLU 38 HA GLU 38 -9.214 -1.983 6.034 317 1HB GLU 38 2HB GLU 38 -6.462 -0.750 6.266 318 2HB GLU 38 1HB GLU 38 -7.898 -0.210 7.123 319 1HG GLU 38 2HG GLU 38 -6.616 -2.918 7.417 320 2HG GLU 38 1HG GLU 38 -6.406 -1.562 8.523 321 H ARG 39 H ARG 39 -6.737 -0.883 3.748 322 HA ARG 39 HA ARG 39 -8.031 1.536 3.040 323 1HB ARG 39 2HB ARG 39 -5.863 -0.100 1.788 324 2HB ARG 39 1HB ARG 39 -6.564 1.246 0.921 325 1HG ARG 39 1HG ARG 39 -4.535 1.909 2.043 326 2HG ARG 39 2HG ARG 39 -5.925 2.750 2.722 327 1HD ARG 39 1HD ARG 39 -5.943 0.838 4.453 328 2HD ARG 39 2HD ARG 39 -4.301 0.527 3.891 329 HE ARG 39 HE ARG 39 -3.640 2.267 5.188 330 1HH1 ARG 39 1HH1 ARG 39 -6.939 2.813 4.218 331 2HH1 ARG 39 2HH1 ARG 39 -7.092 4.295 5.105 332 1HH2 ARG 39 1HH2 ARG 39 -3.827 4.220 6.359 333 2HH2 ARG 39 2HH2 ARG 39 -5.322 5.095 6.322 334 H ARG 40 H ARG 40 -7.925 -1.628 1.435 335 HA ARG 40 HA ARG 40 -9.424 -1.008 -0.811 336 1HB ARG 40 2HB ARG 40 -9.240 -3.596 0.740 337 2HB ARG 40 1HB ARG 40 -10.167 -3.456 -0.745 338 1HG ARG 40 1HG ARG 40 -7.199 -3.026 -0.448 339 2HG ARG 40 2HG ARG 40 -7.994 -4.411 -1.209 340 1HD ARG 40 2HD ARG 40 -8.036 -1.539 -2.142 341 2HD ARG 40 1HD ARG 40 -7.220 -2.896 -2.917 342 HE ARG 40 HE ARG 40 -9.928 -3.526 -2.731 343 1HH1 ARG 40 1HH1 ARG 40 -7.870 -1.229 -4.352 344 2HH1 ARG 40 2HH1 ARG 40 -8.931 -1.043 -5.709 345 1HH2 ARG 40 1HH2 ARG 40 -11.330 -3.286 -4.512 346 2HH2 ARG 40 2HH2 ARG 40 -10.898 -2.212 -5.800 347 H GLU 41 H GLU 41 -10.529 -2.017 2.398 348 HA GLU 41 HA GLU 41 -13.305 -1.920 1.665 349 1HB GLU 41 1HB GLU 41 -11.988 -2.097 4.375 350 2HB GLU 41 2HB GLU 41 -13.710 -2.284 4.079 351 1HG GLU 41 2HG GLU 41 -13.256 -4.238 2.683 352 2HG GLU 41 1HG GLU 41 -11.531 -4.052 2.989 353 H GLU 42 H GLU 42 -11.067 0.297 3.254 354 HA GLU 42 HA GLU 42 -13.152 2.119 4.044 355 1HB GLU 42 2HB GLU 42 -11.052 1.870 5.336 356 2HB GLU 42 1HB GLU 42 -10.164 2.559 3.985 357 1HG GLU 42 2HG GLU 42 -10.512 4.248 5.646 358 2HG GLU 42 1HG GLU 42 -11.476 4.633 4.222 359 H GLU 43 H GLU 43 -10.837 1.876 1.433 360 HA GLU 43 HA GLU 43 -11.103 4.435 0.347 361 1HB GLU 43 1HB GLU 43 -10.285 1.773 -0.718 362 2HB GLU 43 2HB GLU 43 -10.572 3.083 -1.859 363 1HG GLU 43 1HG GLU 43 -8.638 3.170 0.451 364 2HG GLU 43 2HG GLU 43 -8.218 2.870 -1.233 365 H SER 44 H SER 44 -12.827 1.428 -0.407 366 HA SER 44 HA SER 44 -14.541 2.482 -2.361 367 1HB SER 44 2HB SER 44 -15.952 0.534 -1.924 368 2HB SER 44 1HB SER 44 -14.254 0.050 -1.885 369 HG SER 44 HG SER 44 -16.089 -0.216 0.022 370 H ALA 45 H ALA 45 -14.541 2.518 1.098 371 HA ALA 45 HA ALA 45 -17.179 3.494 1.513 372 1HB ALA 45 1HB ALA 45 -15.826 4.276 3.727 373 2HB ALA 45 2HB ALA 45 -14.767 2.996 3.127 374 3HB ALA 45 3HB ALA 45 -16.462 2.649 3.478 375 H ALA 46 H ALA 46 -13.999 4.990 1.140 376 HA ALA 46 HA ALA 46 -14.760 7.638 1.754 377 1HB ALA 46 1HB ALA 46 -12.637 8.278 1.002 378 2HB ALA 46 2HB ALA 46 -12.538 6.941 -0.145 379 3HB ALA 46 3HB ALA 46 -12.401 6.630 1.586 380 H ALA 47 H ALA 47 -14.670 5.789 -1.244 381 HA ALA 47 HA ALA 47 -15.217 7.898 -3.023 382 1HB ALA 47 1HB ALA 47 -14.454 5.996 -4.080 383 2HB ALA 47 2HB ALA 47 -16.179 5.931 -4.437 384 3HB ALA 47 3HB ALA 47 -15.507 4.928 -3.151 385 H ALA 48 H ALA 48 -17.318 5.774 -1.153 386 HA ALA 48 HA ALA 48 -19.729 6.835 -2.337 387 1HB ALA 48 1HB ALA 48 -19.025 4.606 -0.663 388 2HB ALA 48 2HB ALA 48 -20.468 4.859 -1.645 389 3HB ALA 48 3HB ALA 48 -20.408 5.471 0.007 390 H GLU 49 H GLU 49 -17.924 7.242 0.650 391 HA GLU 49 HA GLU 49 -19.818 8.759 2.062 392 1HB GLU 49 2HB GLU 49 -17.900 7.692 3.144 393 2HB GLU 49 1HB GLU 49 -16.805 8.769 2.288 394 1HG GLU 49 2HG GLU 49 -17.074 9.530 4.546 395 2HG GLU 49 1HG GLU 49 -17.825 10.686 3.448 396 H VAL 50 H VAL 50 -17.183 9.754 -0.101 397 HA VAL 50 HA VAL 50 -17.264 12.480 0.336 398 HB VAL 50 HB VAL 50 -15.526 11.499 -1.033 399 1HG1 VAL 50 1HG1 VAL 50 -15.997 9.975 -2.569 400 2HG1 VAL 50 2HG1 VAL 50 -16.720 11.237 -3.566 401 3HG1 VAL 50 3HG1 VAL 50 -17.720 10.327 -2.435 402 1HG2 VAL 50 1HG2 VAL 50 -17.063 13.810 -1.799 403 2HG2 VAL 50 2HG2 VAL 50 -16.267 13.090 -3.198 404 3HG2 VAL 50 3HG2 VAL 50 -15.315 13.574 -1.795 405 H GLU 51 H GLU 51 -19.123 13.486 0.525 406 HA GLU 51 HA GLU 51 -21.445 13.005 -0.997 407 1HB GLU 51 1HB GLU 51 -22.282 15.097 0.031 408 2HB GLU 51 2HB GLU 51 -21.574 13.997 1.205 409 1HG GLU 51 2HG GLU 51 -19.513 15.316 1.193 410 2HG GLU 51 1HG GLU 51 -20.240 16.428 0.035 411 H GLU 52 H GLU 52 -21.763 16.102 -1.290 412 HA GLU 52 HA GLU 52 -21.650 17.647 -2.947 413 1HB GLU 52 1HB GLU 52 -19.233 17.571 -2.639 414 2HB GLU 52 2HB GLU 52 -19.120 16.167 -3.692 415 1HG GLU 52 2HG GLU 52 -19.918 17.521 -5.570 416 2HG GLU 52 1HG GLU 52 -19.999 18.927 -4.510 417 H ARG 53 H ARG 53 -22.896 17.766 -4.675 418 HA ARG 53 HA ARG 53 -23.932 17.297 -6.642 419 1HB ARG 53 2HB ARG 53 -21.734 16.708 -7.537 420 2HB ARG 53 1HB ARG 53 -21.889 15.084 -6.882 421 1HG ARG 53 2HG ARG 53 -22.352 14.976 -9.207 422 2HG ARG 53 1HG ARG 53 -23.878 14.758 -8.349 423 1HD ARG 53 2HD ARG 53 -22.940 17.379 -9.501 424 2HD ARG 53 1HD ARG 53 -24.018 16.261 -10.334 425 HE ARG 53 HE ARG 53 -25.119 16.822 -7.831 426 1HH1 ARG 53 1HH1 ARG 53 -24.400 18.453 -10.824 427 2HH1 ARG 53 2HH1 ARG 53 -25.693 19.591 -10.663 428 1HH2 ARG 53 1HH2 ARG 53 -26.826 18.316 -7.612 429 2HH2 ARG 53 2HH2 ARG 53 -27.073 19.515 -8.838 430 H THR 54 H THR 54 -23.078 14.261 -4.961 431 HA THR 54 HA THR 54 -25.432 12.898 -5.750 432 HB THR 54 HB THR 54 -23.518 11.606 -5.098 433 HG1 THR 54 1HG THR 54 -25.067 10.282 -4.515 434 1HG2 THR 54 1HG2 THR 54 -22.533 11.618 -2.940 435 2HG2 THR 54 2HG2 THR 54 -23.832 12.611 -2.275 436 3HG2 THR 54 3HG2 THR 54 -22.686 13.309 -3.420 437 H ARG 55 H ARG 55 -24.521 14.395 -2.642 438 HA ARG 55 HA ARG 55 -27.282 15.096 -2.138 439 1HB ARG 55 1HB ARG 55 -25.808 13.137 -0.364 440 2HB ARG 55 2HB ARG 55 -27.311 13.937 0.077 441 1HG ARG 55 2HG ARG 55 -28.533 12.781 -1.564 442 2HG ARG 55 1HG ARG 55 -27.068 12.241 -2.386 443 1HD ARG 55 1HD ARG 55 -28.090 10.430 -1.122 444 2HD ARG 55 2HD ARG 55 -26.499 10.840 -0.485 445 HE ARG 55 HE ARG 55 -28.428 12.282 0.943 446 1HH1 ARG 55 1HH1 ARG 55 -27.364 8.996 0.488 447 2HH1 ARG 55 2HH1 ARG 55 -27.858 8.482 2.066 448 1HH2 ARG 55 1HH2 ARG 55 -29.078 11.615 3.023 449 2HH2 ARG 55 2HH2 ARG 55 -28.832 9.969 3.507 450 H LYS 56 H LYS 56 -26.641 15.242 0.794 451 HA LYS 56 HA LYS 56 -24.404 16.851 1.274 452 1HB LYS 56 1HB LYS 56 -25.499 18.472 -0.197 453 2HB LYS 56 2HB LYS 56 -26.955 18.403 0.785 454 1HG LYS 56 1HG LYS 56 -25.678 20.407 1.264 455 2HG LYS 56 2HG LYS 56 -25.733 19.348 2.676 456 1HD LYS 56 2HD LYS 56 -23.500 20.252 2.398 457 2HD LYS 56 1HD LYS 56 -23.488 18.511 2.113 458 1HE LYS 56 1HE LYS 56 -22.132 19.661 0.455 459 2HE LYS 56 2HE LYS 56 -23.533 18.906 -0.301 460 1HZ LYS 56 1HZ LYS 56 -24.432 20.891 -0.832 461 2HZ LYS 56 2HZ LYS 56 -22.822 21.403 -0.772 462 3HZ LYS 56 3HZ LYS 56 -23.844 21.674 0.547 463 H LEU 57 H LEU 57 -27.829 16.428 2.094 464 HA LEU 57 HA LEU 57 -27.618 17.135 4.807 465 1HB LEU 57 2HB LEU 57 -29.575 15.316 3.405 466 2HB LEU 57 1HB LEU 57 -29.737 15.822 5.073 467 HG LEU 57 HG LEU 57 -31.192 17.166 3.726 468 1HD1 LEU 57 1HD1 LEU 57 -30.026 18.285 5.578 469 2HD1 LEU 57 2HD1 LEU 57 -30.417 19.392 4.262 470 3HD1 LEU 57 3HD1 LEU 57 -28.767 18.800 4.455 471 1HD2 LEU 57 1HD2 LEU 57 -28.815 18.061 2.118 472 2HD2 LEU 57 2HD2 LEU 57 -30.513 18.448 1.848 473 3HD2 LEU 57 3HD2 LEU 57 -29.934 16.803 1.594 474 H SER 1 1HT SER 1 -11.232 -5.905 1.717 475 HA SER 1 HA SER 1 -11.360 -8.115 1.055 476 1HB SER 1 1HB SER 1 -13.374 -6.808 0.557 477 2HB SER 1 2HB SER 1 -12.732 -6.403 -1.035 478 HG SER 1 HG SER 1 -13.116 -8.400 -1.723 479 H GLU 2 H GLU 2 -10.352 -6.107 -1.695 480 HA GLU 2 HA GLU 2 -9.638 -8.308 -3.348 481 1HB GLU 2 2HB GLU 2 -10.201 -6.108 -4.284 482 2HB GLU 2 1HB GLU 2 -8.784 -5.412 -3.512 483 1HG GLU 2 2HG GLU 2 -7.332 -6.802 -4.873 484 2HG GLU 2 1HG GLU 2 -8.736 -7.565 -5.616 485 H ALA 3 H ALA 3 -8.127 -6.726 -0.737 486 HA ALA 3 HA ALA 3 -5.404 -7.279 -1.426 487 1HB ALA 3 1HB ALA 3 -4.936 -6.691 0.918 488 2HB ALA 3 2HB ALA 3 -6.671 -6.640 1.236 489 3HB ALA 3 3HB ALA 3 -5.944 -5.486 0.117 490 H LEU 4 H LEU 4 -7.962 -8.900 0.110 491 HA LEU 4 HA LEU 4 -6.486 -10.970 1.390 492 1HB LEU 4 2HB LEU 4 -9.396 -10.615 0.682 493 2HB LEU 4 1HB LEU 4 -8.787 -11.961 1.628 494 HG LEU 4 HG LEU 4 -8.260 -10.556 3.468 495 1HD1 LEU 4 1HD2 LEU 4 -7.236 -8.641 2.698 496 2HD1 LEU 4 2HD2 LEU 4 -8.810 -8.016 3.193 497 3HD1 LEU 4 3HD2 LEU 4 -8.483 -8.330 1.489 498 1HD2 LEU 4 1HD1 LEU 4 -10.419 -10.642 3.962 499 2HD2 LEU 4 2HD1 LEU 4 -10.865 -10.504 2.259 500 3HD2 LEU 4 3HD1 LEU 4 -10.591 -9.049 3.220 501 H LYS 5 H LYS 5 -8.451 -10.675 -1.528 502 HA LYS 5 HA LYS 5 -7.986 -13.367 -2.391 503 1HB LYS 5 2HB LYS 5 -10.058 -12.055 -2.884 504 2HB LYS 5 1HB LYS 5 -9.107 -11.048 -3.965 505 1HG LYS 5 2HG LYS 5 -9.313 -14.022 -4.304 506 2HG LYS 5 1HG LYS 5 -10.464 -12.895 -5.021 507 1HD LYS 5 1HD LYS 5 -8.640 -11.783 -6.205 508 2HD LYS 5 2HD LYS 5 -7.487 -12.904 -5.479 509 1HE LYS 5 2HE LYS 5 -8.038 -13.578 -7.757 510 2HE LYS 5 1HE LYS 5 -8.598 -14.775 -6.591 511 1HZ LYS 5 1HZ LYS 5 -10.800 -14.148 -6.887 512 2HZ LYS 5 2HZ LYS 5 -10.174 -14.089 -8.458 513 3HZ LYS 5 3HZ LYS 5 -10.401 -12.659 -7.584 514 H ILE 6 H ILE 6 -6.637 -10.190 -3.139 515 HA ILE 6 HA ILE 6 -5.193 -10.737 -5.439 516 HB ILE 6 HB ILE 6 -5.389 -8.489 -4.273 517 1HG1 ILE 6 1HG1 ILE 6 -2.722 -9.571 -5.179 518 2HG1 ILE 6 2HG1 ILE 6 -3.861 -8.581 -6.093 519 1HG2 ILE 6 1HG2 ILE 6 -3.075 -9.407 -2.608 520 2HG2 ILE 6 2HG2 ILE 6 -4.744 -9.468 -2.040 521 3HG2 ILE 6 3HG2 ILE 6 -4.015 -7.920 -2.468 522 1HD1 ILE 6 1HD1 ILE 6 -1.864 -7.794 -4.044 523 2HD1 ILE 6 2HD1 ILE 6 -3.350 -6.849 -4.189 524 3HD1 ILE 6 3HD1 ILE 6 -2.280 -7.027 -5.581 525 H LEU 7 H LEU 7 -4.505 -11.221 -2.087 526 HA LEU 7 HA LEU 7 -1.940 -12.456 -2.537 527 1HB LEU 7 1HB LEU 7 -2.697 -10.872 -0.623 528 2HB LEU 7 2HB LEU 7 -3.466 -12.294 0.045 529 HG LEU 7 HG LEU 7 -0.521 -11.949 -0.433 530 1HD1 LEU 7 1HD2 LEU 7 -1.210 -12.433 2.261 531 2HD1 LEU 7 2HD2 LEU 7 -2.216 -11.112 1.658 532 3HD1 LEU 7 3HD2 LEU 7 -0.453 -11.005 1.555 533 1HD2 LEU 7 1HD1 LEU 7 -0.372 -14.033 0.960 534 2HD2 LEU 7 2HD1 LEU 7 -0.919 -14.235 -0.708 535 3HD2 LEU 7 3HD1 LEU 7 -2.087 -14.260 0.611 536 H ASN 8 H ASN 8 -5.253 -13.254 -1.900 537 HA ASN 8 HA ASN 8 -6.368 -15.248 -1.712 538 1HB ASN 8 2HB ASN 8 -5.059 -15.824 -3.799 539 2HB ASN 8 1HB ASN 8 -3.826 -16.537 -2.759 540 1HD2 ASN 8 2HD2 ASN 8 -3.944 -18.642 -2.694 541 2HD2 ASN 8 1HD2 ASN 8 -5.399 -19.592 -2.729 542 H ASN 9 H ASN 9 -4.183 -14.107 0.102 543 HA ASN 9 HA ASN 9 -3.491 -14.364 2.209 544 1HB ASN 9 2HB ASN 9 -5.162 -16.892 2.165 545 2HB ASN 9 1HB ASN 9 -4.444 -16.180 3.608 546 1HD2 ASN 9 2HD2 ASN 9 -5.243 -13.638 1.714 547 2HD2 ASN 9 1HD2 ASN 9 -6.824 -13.301 2.320 548 H ILE 10 H ILE 10 -1.581 -14.858 2.889 549 HA ILE 10 HA ILE 10 0.251 -16.394 1.512 550 HB ILE 10 HB ILE 10 1.708 -16.222 3.461 551 1HG1 ILE 10 1HG1 ILE 10 -0.091 -16.592 5.178 552 2HG1 ILE 10 2HG1 ILE 10 0.992 -15.255 5.542 553 1HG2 ILE 10 1HG2 ILE 10 1.270 -13.607 3.748 554 2HG2 ILE 10 2HG2 ILE 10 0.230 -13.913 2.356 555 3HG2 ILE 10 3HG2 ILE 10 1.947 -14.311 2.276 556 1HD1 ILE 10 1HD1 ILE 10 -1.210 -14.573 6.083 557 2HD1 ILE 10 2HD1 ILE 10 -1.825 -15.098 4.515 558 3HD1 ILE 10 3HD1 ILE 10 -0.739 -13.710 4.618 559 H ARG 11 H ARG 11 -1.856 -17.344 4.165 560 HA ARG 11 HA ARG 11 -0.715 -19.715 4.964 561 1HB ARG 11 2HB ARG 11 -3.049 -20.478 5.454 562 2HB ARG 11 1HB ARG 11 -2.669 -18.877 6.076 563 1HG ARG 11 2HG ARG 11 -3.831 -17.870 4.160 564 2HG ARG 11 1HG ARG 11 -4.242 -19.487 3.579 565 1HD ARG 11 2HD ARG 11 -5.502 -19.917 5.616 566 2HD ARG 11 1HD ARG 11 -5.060 -18.329 6.241 567 HE ARG 11 HE ARG 11 -6.319 -17.991 3.765 568 1HH1 ARG 11 1HH1 ARG 11 -7.066 -19.033 7.005 569 2HH1 ARG 11 2HH1 ARG 11 -8.720 -18.529 6.925 570 1HH2 ARG 11 1HH2 ARG 11 -8.496 -17.321 3.651 571 2HH2 ARG 11 2HH2 ARG 11 -9.534 -17.556 5.019 572 H THR 12 H THR 12 -2.800 -19.133 2.173 573 HA THR 12 HA THR 12 -2.569 -21.887 1.275 574 HB THR 12 HB THR 12 -4.109 -21.303 -0.461 575 HG1 THR 12 1HG THR 12 -3.437 -19.360 -1.219 576 1HG2 THR 12 1HG2 THR 12 -5.068 -21.498 1.806 577 2HG2 THR 12 2HG2 THR 12 -5.982 -20.385 0.787 578 3HG2 THR 12 3HG2 THR 12 -4.880 -19.756 2.012 579 H LEU 13 H LEU 13 -1.455 -18.673 0.378 580 HA LEU 13 HA LEU 13 -0.321 -19.336 -2.097 581 1HB LEU 13 2HB LEU 13 -0.816 -17.036 -1.321 582 2HB LEU 13 1HB LEU 13 0.556 -17.141 -0.233 583 HG LEU 13 HG LEU 13 0.813 -17.438 -3.226 584 1HD1 LEU 13 1HD1 LEU 13 0.508 -15.256 -3.447 585 2HD1 LEU 13 2HD1 LEU 13 1.880 -14.980 -2.374 586 3HD1 LEU 13 3HD1 LEU 13 0.248 -15.083 -1.711 587 1HD2 LEU 13 1HD2 LEU 13 2.682 -18.373 -2.067 588 2HD2 LEU 13 2HD2 LEU 13 2.789 -16.971 -0.999 589 3HD2 LEU 13 3HD2 LEU 13 3.178 -16.804 -2.711 590 H ARG 14 H ARG 14 1.392 -18.806 1.000 591 HA ARG 14 HA ARG 14 3.921 -19.418 0.210 592 1HB ARG 14 1HB ARG 14 4.445 -19.985 2.492 593 2HB ARG 14 2HB ARG 14 3.294 -18.660 2.485 594 1HG ARG 14 1HG ARG 14 2.514 -20.017 4.179 595 2HG ARG 14 2HG ARG 14 1.512 -20.494 2.807 596 1HD ARG 14 2HD ARG 14 2.339 -22.422 4.102 597 2HD ARG 14 1HD ARG 14 2.882 -22.443 2.426 598 HE ARG 14 HE ARG 14 5.005 -22.460 3.230 599 1HH1 ARG 14 1HH1 ARG 14 2.984 -20.878 5.591 600 2HH1 ARG 14 2HH1 ARG 14 4.283 -20.598 6.701 601 1HH2 ARG 14 1HH2 ARG 14 6.717 -22.092 4.686 602 2HH2 ARG 14 2HH2 ARG 14 6.403 -21.288 6.188 603 H ALA 15 H ALA 15 1.285 -21.630 0.644 604 HA ALA 15 HA ALA 15 2.968 -23.984 0.528 605 1HB ALA 15 1HB ALA 15 0.838 -23.817 1.854 606 2HB ALA 15 2HB ALA 15 0.993 -25.238 0.822 607 3HB ALA 15 3HB ALA 15 -0.022 -23.887 0.317 608 H GLN 16 H GLN 16 0.425 -22.564 -1.540 609 HA GLN 16 HA GLN 16 0.705 -24.412 -3.648 610 1HB GLN 16 1HB GLN 16 -0.511 -22.779 -5.016 611 2HB GLN 16 2HB GLN 16 -1.252 -22.934 -3.428 612 1HG GLN 16 1HG GLN 16 -0.122 -20.894 -2.708 613 2HG GLN 16 2HG GLN 16 0.602 -20.732 -4.303 614 1HE2 GLN 16 2HE2 GLN 16 -1.719 -19.535 -2.418 615 2HE2 GLN 16 1HE2 GLN 16 -2.878 -19.036 -3.607 616 H ALA 17 H ALA 17 2.338 -21.498 -2.820 617 HA ALA 17 HA ALA 17 3.867 -21.359 -5.269 618 1HB ALA 17 1HB ALA 17 3.335 -19.618 -2.993 619 2HB ALA 17 2HB ALA 17 3.718 -19.211 -4.666 620 3HB ALA 17 3HB ALA 17 5.016 -19.580 -3.530 621 H ARG 18 H ARG 18 4.091 -22.688 -2.107 622 HA ARG 18 HA ARG 18 6.788 -22.787 -1.585 623 1HB ARG 18 1HB ARG 18 5.033 -23.715 -0.097 624 2HB ARG 18 2HB ARG 18 4.830 -25.063 -1.204 625 1HG ARG 18 1HG ARG 18 6.174 -25.742 0.671 626 2HG ARG 18 2HG ARG 18 7.165 -25.724 -0.790 627 1HD ARG 18 1HD ARG 18 8.063 -23.542 -0.156 628 2HD ARG 18 2HD ARG 18 7.066 -23.549 1.296 629 HE ARG 18 HE ARG 18 9.582 -24.766 1.008 630 1HH1 ARG 18 1HH1 ARG 18 6.432 -25.401 2.362 631 2HH1 ARG 18 2HH1 ARG 18 7.032 -26.476 3.581 632 1HH2 ARG 18 1HH2 ARG 18 10.377 -26.178 2.609 633 2HH2 ARG 18 2HH2 ARG 18 9.274 -26.916 3.720 634 H GLU 19 H GLU 19 4.951 -24.595 -3.929 635 HA GLU 19 HA GLU 19 6.861 -26.557 -4.570 636 1HB GLU 19 1HB GLU 19 4.766 -25.288 -6.344 637 2HB GLU 19 2HB GLU 19 5.639 -26.770 -6.706 638 1HG GLU 19 2HG GLU 19 3.814 -26.365 -4.347 639 2HG GLU 19 1HG GLU 19 3.373 -27.172 -5.850 640 H SER 20 H SER 20 6.434 -23.244 -5.672 641 HA SER 20 HA SER 20 8.775 -23.520 -7.424 642 1HB SER 20 2HB SER 20 8.043 -21.408 -8.444 643 2HB SER 20 1HB SER 20 6.742 -22.598 -8.457 644 HG SER 20 HG SER 20 6.797 -21.010 -6.216 645 H THR 21 H THR 21 8.990 -20.493 -7.296 646 HA THR 21 HA THR 21 10.607 -20.369 -4.836 647 HB THR 21 HB THR 21 10.935 -18.652 -7.307 648 HG1 THR 21 1HG THR 21 11.788 -20.389 -8.162 649 1HG2 THR 21 1HG2 THR 21 13.230 -18.338 -6.358 650 2HG2 THR 21 2HG2 THR 21 12.689 -19.181 -4.907 651 3HG2 THR 21 3HG2 THR 21 11.940 -17.653 -5.368 652 H LEU 22 H LEU 22 10.907 -17.935 -4.126 653 HA LEU 22 HA LEU 22 8.438 -16.995 -3.260 654 1HB LEU 22 1HB LEU 22 9.642 -15.617 -1.984 655 2HB LEU 22 2HB LEU 22 11.043 -16.449 -2.631 656 HG LEU 22 HG LEU 22 9.888 -13.968 -3.876 657 1HD1 LEU 22 1HD1 LEU 22 11.754 -12.771 -2.783 658 2HD1 LEU 22 2HD1 LEU 22 12.091 -14.226 -1.845 659 3HD1 LEU 22 3HD1 LEU 22 10.551 -13.384 -1.647 660 1HD2 LEU 22 1HD2 LEU 22 12.717 -14.582 -4.187 661 2HD2 LEU 22 2HD2 LEU 22 11.520 -14.062 -5.375 662 3HD2 LEU 22 3HD2 LEU 22 11.632 -15.764 -4.921 663 H GLU 23 H GLU 23 9.902 -16.694 -6.289 664 HA GLU 23 HA GLU 23 9.360 -14.264 -7.312 665 1HB GLU 23 1HB GLU 23 10.217 -16.132 -8.653 666 2HB GLU 23 2HB GLU 23 8.634 -16.895 -8.617 667 1HG GLU 23 1HG GLU 23 9.008 -15.805 -10.740 668 2HG GLU 23 2HG GLU 23 7.698 -15.017 -9.863 669 H THR 24 H THR 24 7.037 -16.579 -6.186 670 HA THR 24 HA THR 24 4.690 -15.707 -7.386 671 HB THR 24 HB THR 24 5.102 -16.729 -4.571 672 HG1 THR 24 1HG THR 24 5.305 -18.562 -5.591 673 1HG2 THR 24 1HG2 THR 24 2.628 -16.062 -6.114 674 2HG2 THR 24 2HG2 THR 24 3.001 -15.774 -4.414 675 3HG2 THR 24 3HG2 THR 24 2.609 -17.403 -4.968 676 H LEU 25 H LEU 25 6.349 -14.465 -4.498 677 HA LEU 25 HA LEU 25 4.395 -12.509 -3.931 678 1HB LEU 25 1HB LEU 25 6.271 -11.404 -2.606 679 2HB LEU 25 2HB LEU 25 5.717 -12.978 -2.100 680 HG LEU 25 HG LEU 25 7.716 -13.984 -3.201 681 1HD1 LEU 25 1HD2 LEU 25 8.018 -11.329 -4.229 682 2HD1 LEU 25 2HD2 LEU 25 8.943 -12.791 -4.604 683 3HD1 LEU 25 3HD2 LEU 25 9.427 -11.756 -3.258 684 1HD2 LEU 25 1HD1 LEU 25 8.336 -13.912 -1.070 685 2HD2 LEU 25 2HD1 LEU 25 7.605 -12.325 -0.833 686 3HD2 LEU 25 3HD1 LEU 25 9.240 -12.454 -1.480 687 H GLU 26 H GLU 26 7.456 -12.360 -5.753 688 HA GLU 26 HA GLU 26 7.366 -9.615 -6.237 689 1HB GLU 26 1HB GLU 26 9.354 -10.820 -6.807 690 2HB GLU 26 2HB GLU 26 8.479 -11.868 -7.921 691 1HG GLU 26 2HG GLU 26 8.063 -9.948 -9.384 692 2HG GLU 26 1HG GLU 26 8.949 -8.912 -8.266 693 H GLU 27 H GLU 27 5.489 -12.240 -7.418 694 HA GLU 27 HA GLU 27 4.374 -10.761 -9.649 695 1HB GLU 27 2HB GLU 27 4.672 -13.196 -9.808 696 2HB GLU 27 1HB GLU 27 3.578 -13.422 -8.452 697 1HG GLU 27 2HG GLU 27 2.429 -13.883 -10.510 698 2HG GLU 27 1HG GLU 27 1.763 -12.425 -9.776 699 H MET 28 H MET 28 3.144 -12.104 -6.590 700 HA MET 28 HA MET 28 0.712 -10.542 -6.782 701 1HB MET 28 2HB MET 28 1.680 -12.510 -4.709 702 2HB MET 28 1HB MET 28 0.117 -11.711 -4.659 703 1HG MET 28 2HG MET 28 1.060 -13.537 -6.851 704 2HG MET 28 1HG MET 28 -0.008 -13.995 -5.526 705 1HE MET 28 1HE MET 28 -1.150 -14.437 -8.665 706 2HE MET 28 2HE MET 28 -2.752 -14.120 -7.998 707 3HE MET 28 3HE MET 28 -1.543 -14.964 -7.029 708 H LEU 29 H LEU 29 3.430 -10.868 -4.546 709 HA LEU 29 HA LEU 29 2.649 -8.927 -2.691 710 1HB LEU 29 2HB LEU 29 4.315 -10.539 -2.154 711 2HB LEU 29 1HB LEU 29 5.356 -10.019 -3.452 712 HG LEU 29 HG LEU 29 5.643 -7.836 -2.198 713 1HD1 LEU 29 1HD1 LEU 29 4.740 -7.481 -0.159 714 2HD1 LEU 29 2HD1 LEU 29 4.805 -9.186 0.287 715 3HD1 LEU 29 3HD1 LEU 29 3.511 -8.596 -0.756 716 1HD2 LEU 29 1HD2 LEU 29 7.422 -9.375 -2.120 717 2HD2 LEU 29 2HD2 LEU 29 6.530 -10.477 -1.070 718 3HD2 LEU 29 3HD2 LEU 29 7.112 -8.936 -0.439 719 H GLU 30 H GLU 30 4.155 -8.598 -5.812 720 HA GLU 30 HA GLU 30 5.050 -5.899 -5.461 721 1HB GLU 30 2HB GLU 30 6.094 -7.197 -7.185 722 2HB GLU 30 1HB GLU 30 4.543 -7.571 -7.923 723 1HG GLU 30 2HG GLU 30 4.263 -5.227 -8.539 724 2HG GLU 30 1HG GLU 30 5.813 -4.845 -7.792 725 H LYS 31 H LYS 31 2.095 -7.438 -6.468 726 HA LYS 31 HA LYS 31 0.905 -4.953 -7.385 727 1HB LYS 31 1HB LYS 31 -0.536 -7.564 -6.993 728 2HB LYS 31 2HB LYS 31 -0.920 -6.259 -8.110 729 1HG LYS 31 2HG LYS 31 1.467 -8.078 -8.263 730 2HG LYS 31 1HG LYS 31 0.025 -8.170 -9.277 731 1HD LYS 31 1HD LYS 31 0.515 -6.030 -10.259 732 2HD LYS 31 2HD LYS 31 1.853 -5.777 -9.135 733 1HE LYS 31 1HE LYS 31 2.666 -6.460 -11.333 734 2HE LYS 31 2HE LYS 31 3.041 -7.672 -10.105 735 1HZ LYS 31 1HZ LYS 31 1.939 -8.257 -12.446 736 2HZ LYS 31 2HZ LYS 31 0.536 -8.034 -11.531 737 3HZ LYS 31 3HZ LYS 31 1.683 -9.178 -11.049 738 H LEU 32 H LEU 32 0.919 -7.079 -4.679 739 HA LEU 32 HA LEU 32 -1.326 -6.052 -3.314 740 1HB LEU 32 2HB LEU 32 -0.307 -8.244 -2.880 741 2HB LEU 32 1HB LEU 32 1.115 -7.447 -2.238 742 HG LEU 32 HG LEU 32 -0.121 -6.607 -0.362 743 1HD1 LEU 32 1HD2 LEU 32 -2.206 -5.939 -0.797 744 2HD1 LEU 32 2HD2 LEU 32 -2.662 -7.601 -0.426 745 3HD1 LEU 32 3HD2 LEU 32 -2.409 -7.108 -2.101 746 1HD2 LEU 32 1HD1 LEU 32 -0.238 -9.450 -1.032 747 2HD2 LEU 32 2HD1 LEU 32 -1.368 -8.946 0.224 748 3HD2 LEU 32 3HD1 LEU 32 0.358 -8.647 0.420 749 H GLU 33 H GLU 33 1.924 -4.969 -3.742 750 HA GLU 33 HA GLU 33 1.762 -3.105 -1.501 751 1HB GLU 33 1HB GLU 33 3.993 -2.350 -2.200 752 2HB GLU 33 2HB GLU 33 3.935 -4.090 -1.959 753 1HG GLU 33 2HG GLU 33 4.085 -4.533 -4.238 754 2HG GLU 33 1HG GLU 33 3.592 -2.902 -4.685 755 H VAL 34 H VAL 34 1.840 -3.014 -5.049 756 HA VAL 34 HA VAL 34 1.643 -0.214 -5.276 757 HB VAL 34 HB VAL 34 0.922 -0.588 -7.589 758 1HG1 VAL 34 1HG2 VAL 34 2.995 -1.181 -8.273 759 2HG1 VAL 34 2HG2 VAL 34 3.014 -2.650 -7.296 760 3HG1 VAL 34 3HG2 VAL 34 3.350 -1.089 -6.548 761 1HG2 VAL 34 1HG1 VAL 34 -0.234 -2.880 -6.672 762 2HG2 VAL 34 2HG1 VAL 34 1.204 -3.499 -7.488 763 3HG2 VAL 34 3HG1 VAL 34 0.048 -2.499 -8.371 764 H VAL 35 H VAL 35 -0.744 -2.748 -4.835 765 HA VAL 35 HA VAL 35 -3.044 -1.274 -5.473 766 HB VAL 35 HB VAL 35 -3.155 -3.696 -5.087 767 1HG1 VAL 35 1HG1 VAL 35 -3.226 -4.497 -2.697 768 2HG1 VAL 35 2HG1 VAL 35 -2.502 -2.953 -2.250 769 3HG1 VAL 35 3HG1 VAL 35 -1.636 -4.057 -3.318 770 1HG2 VAL 35 1HG2 VAL 35 -4.943 -1.756 -3.923 771 2HG2 VAL 35 2HG2 VAL 35 -5.009 -3.292 -3.057 772 3HG2 VAL 35 3HG2 VAL 35 -5.309 -3.246 -4.796 773 H VAL 36 H VAL 36 -1.242 -1.636 -2.423 774 HA VAL 36 HA VAL 36 -2.930 0.310 -1.126 775 HB VAL 36 HB VAL 36 -0.571 0.099 0.380 776 1HG1 VAL 36 1HG2 VAL 36 -2.016 -0.430 2.065 777 2HG1 VAL 36 2HG2 VAL 36 -3.005 -1.473 1.044 778 3HG1 VAL 36 3HG2 VAL 36 -3.132 0.283 0.897 779 1HG2 VAL 36 1HG1 VAL 36 -1.543 -2.652 -0.330 780 2HG2 VAL 36 2HG1 VAL 36 -0.195 -2.214 0.721 781 3HG2 VAL 36 3HG1 VAL 36 -0.092 -1.924 -1.015 782 H ASN 37 H ASN 37 -0.119 0.325 -3.097 783 HA ASN 37 HA ASN 37 1.144 2.661 -2.208 784 1HB ASN 37 1HB ASN 37 2.190 1.292 -3.918 785 2HB ASN 37 2HB ASN 37 0.836 1.556 -5.015 786 1HD2 ASN 37 1HD2 ASN 37 1.317 2.867 -6.587 787 2HD2 ASN 37 2HD2 ASN 37 2.356 4.255 -6.491 788 H GLU 38 H GLU 38 -1.662 2.097 -4.201 789 HA GLU 38 HA GLU 38 -2.113 4.905 -4.724 790 1HB GLU 38 1HB GLU 38 -3.892 2.505 -5.193 791 2HB GLU 38 2HB GLU 38 -4.205 4.134 -5.777 792 1HG GLU 38 2HG GLU 38 -2.177 4.037 -7.135 793 2HG GLU 38 1HG GLU 38 -1.870 2.401 -6.555 794 H ARG 39 H ARG 39 -3.480 2.360 -2.685 795 HA ARG 39 HA ARG 39 -5.519 3.949 -1.518 796 1HB ARG 39 1HB ARG 39 -4.266 1.324 -0.897 797 2HB ARG 39 2HB ARG 39 -5.236 2.103 0.338 798 1HG ARG 39 2HG ARG 39 -6.667 0.629 -0.815 799 2HG ARG 39 1HG ARG 39 -7.079 2.252 -1.367 800 1HD ARG 39 1HD ARG 39 -5.412 1.805 -3.266 801 2HD ARG 39 2HD ARG 39 -5.572 0.109 -2.806 802 HE ARG 39 HE ARG 39 -7.516 0.104 -3.977 803 1HH1 ARG 39 1HH1 ARG 39 -7.031 3.312 -2.700 804 2HH1 ARG 39 2HH1 ARG 39 -8.480 3.949 -3.403 805 1HH2 ARG 39 1HH2 ARG 39 -9.427 0.937 -4.906 806 2HH2 ARG 39 2HH2 ARG 39 -9.842 2.601 -4.657 807 H ARG 40 H ARG 40 -2.407 2.848 -0.225 808 HA ARG 40 HA ARG 40 -2.451 4.083 2.222 809 1HB ARG 40 2HB ARG 40 -0.107 3.656 0.363 810 2HB ARG 40 1HB ARG 40 0.078 4.293 1.990 811 1HG ARG 40 2HG ARG 40 -1.061 1.601 1.269 812 2HG ARG 40 1HG ARG 40 0.546 1.912 1.933 813 1HD ARG 40 1HD ARG 40 -2.116 2.392 3.270 814 2HD ARG 40 2HD ARG 40 -0.905 1.190 3.710 815 HE ARG 40 HE ARG 40 0.293 3.706 3.842 816 1HH1 ARG 40 1HH1 ARG 40 -2.197 1.884 5.461 817 2HH1 ARG 40 2HH1 ARG 40 -1.992 2.703 6.974 818 1HH2 ARG 40 1HH2 ARG 40 0.567 4.792 5.827 819 2HH2 ARG 40 2HH2 ARG 40 -0.421 4.357 7.182 820 H GLU 41 H GLU 41 -1.650 5.526 -0.900 821 HA GLU 41 HA GLU 41 -1.041 8.092 0.278 822 1HB GLU 41 2HB GLU 41 -1.361 7.266 -2.608 823 2HB GLU 41 1HB GLU 41 -0.797 8.842 -2.068 824 1HG GLU 41 2HG GLU 41 1.123 7.783 -0.988 825 2HG GLU 41 1HG GLU 41 0.561 6.207 -1.547 826 H GLU 42 H GLU 42 -3.779 6.698 -1.501 827 HA GLU 42 HA GLU 42 -5.175 9.201 -1.675 828 1HB GLU 42 2HB GLU 42 -5.491 7.456 -3.367 829 2HB GLU 42 1HB GLU 42 -6.159 6.382 -2.144 830 1HG GLU 42 1HG GLU 42 -8.027 7.907 -1.809 831 2HG GLU 42 2HG GLU 42 -7.356 9.004 -3.014 832 H GLU 43 H GLU 43 -5.372 6.353 0.356 833 HA GLU 43 HA GLU 43 -7.704 6.935 1.740 834 1HB GLU 43 1HB GLU 43 -5.329 5.243 2.202 835 2HB GLU 43 2HB GLU 43 -6.301 5.624 3.621 836 1HG GLU 43 2HG GLU 43 -7.388 4.446 1.075 837 2HG GLU 43 1HG GLU 43 -6.936 3.506 2.494 838 H SER 44 H SER 44 -4.341 7.801 2.516 839 HA SER 44 HA SER 44 -4.871 9.159 4.914 840 1HB SER 44 1HB SER 44 -2.579 8.610 4.186 841 2HB SER 44 2HB SER 44 -2.729 9.742 2.843 842 HG SER 44 HG SER 44 -2.148 11.248 4.168 843 H ALA 45 H ALA 45 -5.120 10.030 1.568 844 HA ALA 45 HA ALA 45 -5.560 12.813 1.866 845 1HB ALA 45 1HB ALA 45 -5.758 10.795 -0.276 846 2HB ALA 45 2HB ALA 45 -5.051 12.415 -0.299 847 3HB ALA 45 3HB ALA 45 -6.796 12.212 -0.463 848 H ALA 46 H ALA 46 -7.728 10.015 1.570 849 HA ALA 46 HA ALA 46 -10.156 11.437 1.573 850 1HB ALA 46 1HB ALA 46 -11.198 9.298 2.124 851 2HB ALA 46 2HB ALA 46 -9.618 8.623 2.528 852 3HB ALA 46 3HB ALA 46 -9.976 9.097 0.868 853 H ALA 47 H ALA 47 -8.171 10.116 4.170 854 HA ALA 47 HA ALA 47 -9.924 10.479 6.309 855 1HB ALA 47 1HB ALA 47 -7.903 9.199 6.571 856 2HB ALA 47 2HB ALA 47 -7.881 10.538 7.718 857 3HB ALA 47 3HB ALA 47 -6.913 10.622 6.247 858 H ALA 48 H ALA 48 -7.642 12.718 4.801 859 HA ALA 48 HA ALA 48 -8.177 14.830 6.677 860 1HB ALA 48 1HB ALA 48 -6.329 14.347 4.531 861 2HB ALA 48 2HB ALA 48 -6.222 15.497 5.863 862 3HB ALA 48 3HB ALA 48 -7.049 15.949 4.373 863 H GLU 49 H GLU 49 -9.127 14.097 3.355 864 HA GLU 49 HA GLU 49 -10.678 16.457 2.988 865 1HB GLU 49 1HB GLU 49 -9.669 15.173 1.129 866 2HB GLU 49 2HB GLU 49 -10.767 13.844 1.469 867 1HG GLU 49 2HG GLU 49 -11.583 15.085 -0.405 868 2HG GLU 49 1HG GLU 49 -12.669 15.323 0.962 869 H VAL 50 H VAL 50 -11.222 13.925 4.992 870 HA VAL 50 HA VAL 50 -13.751 12.974 4.624 871 HB VAL 50 HB VAL 50 -12.338 12.274 6.491 872 1HG1 VAL 50 1HG1 VAL 50 -11.829 14.821 7.005 873 2HG1 VAL 50 2HG1 VAL 50 -11.717 13.580 8.253 874 3HG1 VAL 50 3HG1 VAL 50 -13.154 14.597 8.148 875 1HG2 VAL 50 1HG2 VAL 50 -15.090 13.265 7.186 876 2HG2 VAL 50 2HG2 VAL 50 -14.131 12.259 8.270 877 3HG2 VAL 50 3HG2 VAL 50 -14.606 11.644 6.687 878 H GLU 51 H GLU 51 -12.906 16.083 6.136 879 HA GLU 51 HA GLU 51 -14.105 17.981 6.494 880 1HB GLU 51 2HB GLU 51 -14.601 17.848 4.106 881 2HB GLU 51 1HB GLU 51 -15.959 16.779 4.431 882 1HG GLU 51 1HG GLU 51 -17.075 18.572 5.659 883 2HG GLU 51 2HG GLU 51 -15.715 19.643 5.327 884 H GLU 52 H GLU 52 -15.599 18.716 7.939 885 HA GLU 52 HA GLU 52 -18.008 17.405 8.595 886 1HB GLU 52 1HB GLU 52 -17.428 16.555 10.831 887 2HB GLU 52 2HB GLU 52 -16.559 15.704 9.561 888 1HG GLU 52 2HG GLU 52 -14.569 17.035 10.025 889 2HG GLU 52 1HG GLU 52 -15.439 17.894 11.296 890 H ARG 53 H ARG 53 -15.388 19.495 9.679 891 HA ARG 53 HA ARG 53 -17.193 21.632 10.232 892 1HB ARG 53 1HB ARG 53 -16.713 21.866 12.629 893 2HB ARG 53 2HB ARG 53 -17.555 20.363 12.283 894 1HG ARG 53 1HG ARG 53 -15.465 19.133 12.448 895 2HG ARG 53 2HG ARG 53 -14.593 20.637 12.750 896 1HD ARG 53 2HD ARG 53 -16.753 19.453 14.490 897 2HD ARG 53 1HD ARG 53 -15.024 19.444 14.832 898 HE ARG 53 HE ARG 53 -15.822 22.095 14.451 899 1HH1 ARG 53 1HH1 ARG 53 -16.324 19.483 16.704 900 2HH1 ARG 53 2HH1 ARG 53 -16.596 20.533 18.055 901 1HH2 ARG 53 1HH2 ARG 53 -16.179 23.482 16.223 902 2HH2 ARG 53 2HH2 ARG 53 -16.514 22.805 17.783 903 H THR 54 H THR 54 -13.975 20.257 10.568 904 HA THR 54 HA THR 54 -12.489 22.534 11.106 905 HB THR 54 HB THR 54 -11.697 20.198 9.353 906 HG1 THR 54 1HG THR 54 -10.580 19.756 11.527 907 1HG2 THR 54 1HG2 THR 54 -9.752 21.818 10.931 908 2HG2 THR 54 2HG2 THR 54 -10.324 22.450 9.388 909 3HG2 THR 54 3HG2 THR 54 -9.506 20.889 9.452 910 H ARG 55 H ARG 55 -13.740 21.335 8.040 911 HA ARG 55 HA ARG 55 -13.284 23.961 6.850 912 1HB ARG 55 1HB ARG 55 -12.311 21.378 5.614 913 2HB ARG 55 2HB ARG 55 -12.384 22.919 4.772 914 1HG ARG 55 2HG ARG 55 -10.734 22.363 7.229 915 2HG ARG 55 1HG ARG 55 -10.129 22.382 5.572 916 1HD ARG 55 1HD ARG 55 -11.380 24.707 7.029 917 2HD ARG 55 2HD ARG 55 -9.659 24.490 6.710 918 HE ARG 55 HE ARG 55 -11.549 25.599 4.950 919 1HH1 ARG 55 1HH1 ARG 55 -8.841 23.402 4.954 920 2HH1 ARG 55 2HH1 ARG 55 -8.421 23.714 3.303 921 1HH2 ARG 55 1HH2 ARG 55 -11.000 26.015 2.778 922 2HH2 ARG 55 2HH2 ARG 55 -9.647 25.199 2.067 923 H LYS 56 H LYS 56 -14.719 24.484 5.198 924 HA LYS 56 HA LYS 56 -16.618 22.515 4.248 925 1HB LYS 56 2HB LYS 56 -17.607 23.189 6.389 926 2HB LYS 56 1HB LYS 56 -17.525 24.878 5.906 927 1HG LYS 56 1HG LYS 56 -19.772 24.087 5.640 928 2HG LYS 56 2HG LYS 56 -19.074 24.387 4.048 929 1HD LYS 56 1HD LYS 56 -20.319 22.310 4.022 930 2HD LYS 56 2HD LYS 56 -18.597 21.978 3.830 931 1HE LYS 56 1HE LYS 56 -18.436 21.404 6.197 932 2HE LYS 56 2HE LYS 56 -20.150 21.754 6.405 933 1HZ LYS 56 1HZ LYS 56 -18.863 19.447 5.191 934 2HZ LYS 56 2HZ LYS 56 -20.275 19.993 4.436 935 3HZ LYS 56 3HZ LYS 56 -20.307 19.545 6.066 936 H LEU 57 H LEU 57 -15.818 25.970 4.460 937 HA LEU 57 HA LEU 57 -17.140 26.743 2.093 938 1HB LEU 57 1HB LEU 57 -14.759 28.006 3.451 939 2HB LEU 57 2HB LEU 57 -15.740 28.768 2.213 940 HG LEU 57 HG LEU 57 -16.734 27.927 4.939 941 1HD1 LEU 57 1HD2 LEU 57 -16.647 30.180 5.587 942 2HD1 LEU 57 2HD2 LEU 57 -16.341 30.730 3.939 943 3HD1 LEU 57 3HD2 LEU 57 -15.089 29.860 4.826 944 1HD2 LEU 57 1HD1 LEU 57 -18.042 29.187 2.559 945 2HD2 LEU 57 2HD1 LEU 57 -18.639 29.500 4.190 946 3HD2 LEU 57 3HD1 LEU 57 -18.603 27.851 3.566 Start of MODEL 18 1 H SER 1 1HT SER 1 4.296 5.081 -1.203 2 HA SER 1 HA SER 1 6.281 4.783 -0.307 3 1HB SER 1 2HB SER 1 5.063 6.494 1.879 4 2HB SER 1 1HB SER 1 6.793 6.263 1.618 5 HG SER 1 HG SER 1 6.726 7.650 0.042 6 H GLU 2 H GLU 2 3.832 4.324 2.221 7 HA GLU 2 HA GLU 2 5.504 2.623 3.800 8 1HB GLU 2 1HB GLU 2 3.726 3.959 4.828 9 2HB GLU 2 2HB GLU 2 2.517 3.072 3.912 10 1HG GLU 2 1HG GLU 2 3.087 1.030 5.079 11 2HG GLU 2 2HG GLU 2 4.372 1.864 5.952 12 H ALA 3 H ALA 3 3.335 2.185 1.151 13 HA ALA 3 HA ALA 3 3.002 -0.664 1.575 14 1HB ALA 3 1HB ALA 3 1.673 -0.648 -0.411 15 2HB ALA 3 2HB ALA 3 2.300 0.928 -0.891 16 3HB ALA 3 3HB ALA 3 1.244 0.791 0.515 17 H LEU 4 H LEU 4 5.138 1.483 0.091 18 HA LEU 4 HA LEU 4 6.292 -0.367 -1.783 19 1HB LEU 4 1HB LEU 4 7.486 2.200 -0.801 20 2HB LEU 4 2HB LEU 4 7.681 1.445 -2.374 21 HG LEU 4 HG LEU 4 5.269 2.906 -1.308 22 1HD1 LEU 4 1HD1 LEU 4 7.245 4.169 -2.204 23 2HD1 LEU 4 2HD1 LEU 4 5.698 4.495 -2.987 24 3HD1 LEU 4 3HD1 LEU 4 6.884 3.452 -3.774 25 1HD2 LEU 4 1HD2 LEU 4 3.956 1.724 -2.633 26 2HD2 LEU 4 2HD2 LEU 4 5.331 0.777 -3.211 27 3HD2 LEU 4 3HD2 LEU 4 4.893 2.283 -4.019 28 H LYS 5 H LYS 5 7.147 1.172 1.262 29 HA LYS 5 HA LYS 5 9.587 -0.296 1.590 30 1HB LYS 5 2HB LYS 5 9.321 2.022 2.390 31 2HB LYS 5 1HB LYS 5 8.101 1.479 3.531 32 1HG LYS 5 2HG LYS 5 10.848 0.306 3.583 33 2HG LYS 5 1HG LYS 5 10.514 1.862 4.344 34 1HD LYS 5 1HD LYS 5 8.783 0.831 5.717 35 2HD LYS 5 2HD LYS 5 9.080 -0.723 4.935 36 1HE LYS 5 1HE LYS 5 10.184 -0.614 7.107 37 2HE LYS 5 2HE LYS 5 11.362 -0.733 5.802 38 1HZ LYS 5 1HZ LYS 5 12.242 1.220 6.346 39 2HZ LYS 5 2HZ LYS 5 11.368 1.120 7.791 40 3HZ LYS 5 3HZ LYS 5 10.734 1.977 6.479 41 H ILE 6 H ILE 6 6.257 -0.746 2.496 42 HA ILE 6 HA ILE 6 6.454 -2.307 4.773 43 HB ILE 6 HB ILE 6 4.296 -1.597 3.728 44 1HG1 ILE 6 1HG1 ILE 6 4.713 -4.540 4.292 45 2HG1 ILE 6 2HG1 ILE 6 4.145 -3.298 5.410 46 1HG2 ILE 6 1HG2 ILE 6 5.232 -2.446 1.414 47 2HG2 ILE 6 2HG2 ILE 6 3.502 -2.407 1.756 48 3HG2 ILE 6 3HG2 ILE 6 4.393 -3.924 1.887 49 1HD1 ILE 6 1HD1 ILE 6 2.690 -4.765 3.292 50 2HD1 ILE 6 2HD1 ILE 6 2.232 -3.088 3.599 51 3HD1 ILE 6 3HD1 ILE 6 2.165 -4.272 4.906 52 H LEU 7 H LEU 7 6.674 -3.169 1.384 53 HA LEU 7 HA LEU 7 7.671 -5.813 2.110 54 1HB LEU 7 2HB LEU 7 6.530 -6.616 0.353 55 2HB LEU 7 1HB LEU 7 5.717 -5.063 0.326 56 HG LEU 7 HG LEU 7 7.812 -4.444 -1.218 57 1HD1 LEU 7 1HD1 LEU 7 9.038 -6.240 -1.700 58 2HD1 LEU 7 2HD1 LEU 7 7.676 -6.772 -2.693 59 3HD1 LEU 7 3HD1 LEU 7 7.833 -7.340 -1.030 60 1HD2 LEU 7 1HD2 LEU 7 5.627 -4.057 -1.968 61 2HD2 LEU 7 2HD2 LEU 7 5.225 -5.775 -1.950 62 3HD2 LEU 7 3HD2 LEU 7 6.337 -5.143 -3.164 63 H ASN 8 H ASN 8 8.650 -2.765 1.282 64 HA ASN 8 HA ASN 8 10.631 -1.849 0.636 65 1HB ASN 8 2HB ASN 8 11.728 -4.650 1.005 66 2HB ASN 8 1HB ASN 8 12.681 -3.171 0.892 67 1HD2 ASN 8 1HD2 ASN 8 13.346 -2.397 2.741 68 2HD2 ASN 8 2HD2 ASN 8 12.565 -2.597 4.280 69 H ASN 9 H ASN 9 8.774 -2.988 -1.281 70 HA ASN 9 HA ASN 9 8.568 -3.313 -3.510 71 1HB ASN 9 2HB ASN 9 11.438 -2.355 -3.557 72 2HB ASN 9 1HB ASN 9 10.404 -2.527 -4.973 73 1HD2 ASN 9 1HD2 ASN 9 8.402 -1.557 -2.547 74 2HD2 ASN 9 2HD2 ASN 9 8.466 0.149 -2.797 75 H ILE 10 H ILE 10 8.511 -5.140 -4.651 76 HA ILE 10 HA ILE 10 9.733 -7.486 -3.838 77 HB ILE 10 HB ILE 10 9.049 -8.492 -5.927 78 1HG1 ILE 10 2HG1 ILE 10 9.711 -6.613 -7.423 79 2HG1 ILE 10 1HG1 ILE 10 8.093 -7.224 -7.753 80 1HG2 ILE 10 1HG2 ILE 10 7.255 -6.782 -4.338 81 2HG2 ILE 10 2HG2 ILE 10 7.209 -8.522 -4.642 82 3HG2 ILE 10 3HG2 ILE 10 6.598 -7.395 -5.857 83 1HD1 ILE 10 1HD1 ILE 10 8.934 -4.572 -7.107 84 2HD1 ILE 10 2HD1 ILE 10 7.764 -5.141 -5.915 85 3HD1 ILE 10 3HD1 ILE 10 7.352 -5.151 -7.629 86 H ARG 11 H ARG 11 11.040 -4.959 -5.813 87 HA ARG 11 HA ARG 11 13.001 -6.469 -7.182 88 1HB ARG 11 2HB ARG 11 14.149 -4.277 -7.490 89 2HB ARG 11 1HB ARG 11 12.455 -4.260 -7.961 90 1HG ARG 11 1HG ARG 11 11.865 -3.165 -5.871 91 2HG ARG 11 2HG ARG 11 13.554 -3.209 -5.362 92 1HD ARG 11 1HD ARG 11 12.927 -1.015 -6.249 93 2HD ARG 11 2HD ARG 11 14.183 -1.784 -7.219 94 HE ARG 11 HE ARG 11 11.698 -2.414 -8.337 95 1HH1 ARG 11 1HH1 ARG 11 13.759 0.352 -7.844 96 2HH1 ARG 11 2HH1 ARG 11 13.193 1.187 -9.252 97 1HH2 ARG 11 1HH2 ARG 11 10.948 -1.322 -10.194 98 2HH2 ARG 11 2HH2 ARG 11 11.595 0.236 -10.587 99 H THR 12 H THR 12 13.204 -4.523 -4.203 100 HA THR 12 HA THR 12 15.892 -5.304 -3.636 101 HB THR 12 HB THR 12 13.806 -4.083 -1.814 102 HG1 THR 12 1HG THR 12 15.973 -2.609 -2.740 103 1HG2 THR 12 1HG2 THR 12 15.725 -5.280 -0.682 104 2HG2 THR 12 2HG2 THR 12 15.560 -3.567 -0.297 105 3HG2 THR 12 3HG2 THR 12 16.796 -4.098 -1.437 106 H LEU 13 H LEU 13 12.702 -6.387 -2.630 107 HA LEU 13 HA LEU 13 13.521 -8.145 -0.597 108 1HB LEU 13 1HB LEU 13 11.202 -7.353 -0.908 109 2HB LEU 13 2HB LEU 13 11.081 -8.321 -2.363 110 HG LEU 13 HG LEU 13 11.614 -9.501 0.361 111 1HD1 LEU 13 1HD2 LEU 13 9.206 -8.357 -0.626 112 2HD1 LEU 13 2HD2 LEU 13 9.489 -9.201 0.897 113 3HD1 LEU 13 3HD2 LEU 13 9.007 -10.107 -0.538 114 1HD2 LEU 13 1HD1 LEU 13 10.796 -10.683 -2.284 115 2HD2 LEU 13 2HD1 LEU 13 10.772 -11.563 -0.755 116 3HD2 LEU 13 3HD1 LEU 13 12.301 -10.961 -1.403 117 H ARG 14 H ARG 14 12.721 -8.746 -4.005 118 HA ARG 14 HA ARG 14 13.075 -11.440 -4.194 119 1HB ARG 14 1HB ARG 14 12.387 -9.998 -6.067 120 2HB ARG 14 2HB ARG 14 14.023 -9.366 -6.183 121 1HG ARG 14 2HG ARG 14 13.677 -10.994 -7.906 122 2HG ARG 14 1HG ARG 14 14.822 -11.637 -6.728 123 1HD ARG 14 1HD ARG 14 13.045 -12.934 -5.687 124 2HD ARG 14 2HD ARG 14 11.877 -12.269 -6.826 125 HE ARG 14 HE ARG 14 12.515 -13.899 -8.271 126 1HH1 ARG 14 1HH1 ARG 14 15.203 -13.235 -6.154 127 2HH1 ARG 14 2HH1 ARG 14 16.229 -14.432 -6.872 128 1HH2 ARG 14 1HH2 ARG 14 13.858 -15.476 -9.219 129 2HH2 ARG 14 2HH2 ARG 14 15.464 -15.704 -8.615 130 H ALA 15 H ALA 15 15.520 -8.981 -3.879 131 HA ALA 15 HA ALA 15 17.725 -10.751 -4.433 132 1HB ALA 15 1HB ALA 15 19.119 -8.894 -4.076 133 2HB ALA 15 2HB ALA 15 17.882 -8.052 -3.144 134 3HB ALA 15 3HB ALA 15 17.679 -8.270 -4.882 135 H GLN 16 H GLN 16 16.486 -9.099 -1.518 136 HA GLN 16 HA GLN 16 18.402 -10.246 0.229 137 1HB GLN 16 1HB GLN 16 16.951 -9.493 2.048 138 2HB GLN 16 2HB GLN 16 17.108 -8.237 0.827 139 1HG GLN 16 1HG GLN 16 14.937 -8.872 -0.093 140 2HG GLN 16 2HG GLN 16 14.775 -10.109 1.149 141 1HE2 GLN 16 2HE2 GLN 16 13.811 -7.123 0.314 142 2HE2 GLN 16 1HE2 GLN 16 13.471 -6.458 1.881 143 H ALA 17 H ALA 17 15.320 -11.241 -0.951 144 HA ALA 17 HA ALA 17 15.150 -13.552 0.780 145 1HB ALA 17 1HB ALA 17 12.980 -13.497 0.335 146 2HB ALA 17 2HB ALA 17 13.271 -13.546 -1.405 147 3HB ALA 17 3HB ALA 17 13.276 -12.000 -0.554 148 H ARG 18 H ARG 18 16.406 -12.698 -2.293 149 HA ARG 18 HA ARG 18 16.200 -14.931 -3.847 150 1HB ARG 18 1HB ARG 18 17.424 -12.884 -4.469 151 2HB ARG 18 2HB ARG 18 18.710 -13.319 -3.355 152 1HG ARG 18 2HG ARG 18 19.252 -15.262 -4.676 153 2HG ARG 18 1HG ARG 18 17.895 -14.931 -5.761 154 1HD ARG 18 2HD ARG 18 18.904 -12.793 -6.368 155 2HD ARG 18 1HD ARG 18 20.256 -13.121 -5.288 156 HE ARG 18 HE ARG 18 19.985 -14.031 -7.939 157 1HH1 ARG 18 1HH1 ARG 18 21.030 -15.128 -4.801 158 2HH1 ARG 18 2HH1 ARG 18 22.134 -16.300 -5.439 159 1HH2 ARG 18 1HH2 ARG 18 21.436 -15.569 -8.784 160 2HH2 ARG 18 2HH2 ARG 18 22.366 -16.550 -7.701 161 H GLU 19 H GLU 19 17.980 -14.505 -0.906 162 HA GLU 19 HA GLU 19 18.918 -17.300 -1.056 163 1HB GLU 19 1HB GLU 19 20.683 -16.644 0.554 164 2HB GLU 19 2HB GLU 19 20.797 -15.764 -0.964 165 1HG GLU 19 1HG GLU 19 19.729 -13.829 0.073 166 2HG GLU 19 2HG GLU 19 19.606 -14.713 1.593 167 H SER 20 H SER 20 16.331 -16.844 -0.325 168 HA SER 20 HA SER 20 16.212 -18.008 2.265 169 1HB SER 20 2HB SER 20 16.569 -15.694 2.979 170 2HB SER 20 1HB SER 20 15.206 -15.165 1.994 171 HG SER 20 HG SER 20 14.618 -15.457 4.186 172 H THR 21 H THR 21 13.958 -18.386 2.960 173 HA THR 21 HA THR 21 12.391 -19.373 0.814 174 HB THR 21 HB THR 21 11.601 -19.028 3.715 175 HG1 THR 21 1HG THR 21 12.933 -21.111 2.313 176 1HG2 THR 21 1HG2 THR 21 9.643 -19.420 2.390 177 2HG2 THR 21 2HG2 THR 21 10.060 -20.935 3.190 178 3HG2 THR 21 3HG2 THR 21 10.447 -20.703 1.486 179 H LEU 22 H LEU 22 10.185 -18.793 0.288 180 HA LEU 22 HA LEU 22 9.832 -16.067 -0.180 181 1HB LEU 22 1HB LEU 22 8.076 -16.669 -1.432 182 2HB LEU 22 2HB LEU 22 8.680 -18.296 -1.174 183 HG LEU 22 HG LEU 22 6.555 -17.007 0.528 184 1HD1 LEU 22 1HD1 LEU 22 5.798 -17.204 -1.778 185 2HD1 LEU 22 2HD1 LEU 22 4.957 -18.345 -0.727 186 3HD1 LEU 22 3HD1 LEU 22 6.249 -18.910 -1.785 187 1HD2 LEU 22 1HD2 LEU 22 6.815 -19.929 0.285 188 2HD2 LEU 22 2HD2 LEU 22 6.394 -18.928 1.676 189 3HD2 LEU 22 3HD2 LEU 22 8.082 -19.100 1.190 190 H GLU 23 H GLU 23 9.383 -17.828 2.660 191 HA GLU 23 HA GLU 23 7.186 -16.932 3.928 192 1HB GLU 23 1HB GLU 23 8.463 -16.948 6.039 193 2HB GLU 23 2HB GLU 23 8.817 -18.342 5.032 194 1HG GLU 23 2HG GLU 23 10.868 -17.636 5.931 195 2HG GLU 23 1HG GLU 23 10.867 -17.133 4.242 196 H THR 24 H THR 24 9.823 -14.987 2.851 197 HA THR 24 HA THR 24 9.582 -12.701 4.409 198 HB THR 24 HB THR 24 11.371 -12.869 2.800 199 HG1 THR 24 1HG THR 24 10.809 -10.794 1.568 200 1HG2 THR 24 1HG2 THR 24 9.788 -14.072 1.109 201 2HG2 THR 24 2HG2 THR 24 11.130 -13.096 0.510 202 3HG2 THR 24 3HG2 THR 24 9.493 -12.438 0.513 203 H LEU 25 H LEU 25 7.683 -13.758 1.611 204 HA LEU 25 HA LEU 25 6.102 -11.416 1.498 205 1HB LEU 25 1HB LEU 25 4.493 -12.892 0.183 206 2HB LEU 25 2HB LEU 25 6.068 -12.574 -0.500 207 HG LEU 25 HG LEU 25 6.803 -14.839 0.218 208 1HD1 LEU 25 1HD2 LEU 25 4.338 -14.789 1.666 209 2HD1 LEU 25 2HD2 LEU 25 5.624 -16.002 1.685 210 3HD1 LEU 25 3HD2 LEU 25 4.316 -16.117 0.507 211 1HD2 LEU 25 1HD1 LEU 25 6.277 -15.129 -1.926 212 2HD2 LEU 25 2HD1 LEU 25 4.804 -14.170 -1.786 213 3HD2 LEU 25 3HD1 LEU 25 4.792 -15.876 -1.338 214 H GLU 26 H GLU 26 5.698 -14.579 3.042 215 HA GLU 26 HA GLU 26 3.099 -14.155 3.986 216 1HB GLU 26 2HB GLU 26 4.005 -16.353 4.138 217 2HB GLU 26 1HB GLU 26 5.384 -15.798 5.086 218 1HG GLU 26 1HG GLU 26 3.885 -15.283 6.950 219 2HG GLU 26 2HG GLU 26 2.514 -15.849 5.997 220 H GLU 27 H GLU 27 6.135 -12.833 4.833 221 HA GLU 27 HA GLU 27 5.267 -11.817 7.404 222 1HB GLU 27 2HB GLU 27 7.586 -12.412 7.206 223 2HB GLU 27 1HB GLU 27 7.777 -11.406 5.777 224 1HG GLU 27 1HG GLU 27 7.438 -9.409 7.104 225 2HG GLU 27 2HG GLU 27 7.168 -10.392 8.545 226 H MET 28 H MET 28 6.281 -10.372 4.304 227 HA MET 28 HA MET 28 5.129 -7.824 5.066 228 1HB MET 28 1HB MET 28 6.502 -8.563 2.485 229 2HB MET 28 2HB MET 28 6.183 -6.943 3.087 230 1HG MET 28 2HG MET 28 8.065 -8.965 4.276 231 2HG MET 28 1HG MET 28 8.500 -7.496 3.405 232 1HE MET 28 1HE MET 28 10.014 -7.752 5.371 233 2HE MET 28 2HE MET 28 9.518 -7.717 7.063 234 3HE MET 28 3HE MET 28 9.914 -6.214 6.229 235 H LEU 29 H LEU 29 4.686 -10.230 2.509 236 HA LEU 29 HA LEU 29 2.625 -8.909 1.105 237 1HB LEU 29 2HB LEU 29 3.803 -10.634 0.017 238 2HB LEU 29 1HB LEU 29 3.491 -11.793 1.285 239 HG LEU 29 HG LEU 29 1.069 -11.771 0.590 240 1HD1 LEU 29 1HD2 LEU 29 1.722 -9.490 -0.743 241 2HD1 LEU 29 2HD2 LEU 29 0.288 -10.470 -1.054 242 3HD1 LEU 29 3HD2 LEU 29 1.733 -10.684 -2.041 243 1HD2 LEU 29 1HD1 LEU 29 1.879 -12.732 -1.841 244 2HD2 LEU 29 2HD1 LEU 29 1.908 -13.640 -0.329 245 3HD2 LEU 29 3HD1 LEU 29 3.363 -12.819 -0.893 246 H GLU 30 H GLU 30 2.568 -10.765 4.041 247 HA GLU 30 HA GLU 30 -0.255 -11.280 4.028 248 1HB GLU 30 2HB GLU 30 1.141 -12.725 5.338 249 2HB GLU 30 1HB GLU 30 1.807 -11.364 6.230 250 1HG GLU 30 1HG GLU 30 -0.361 -10.954 7.253 251 2HG GLU 30 2HG GLU 30 -1.055 -12.292 6.339 252 H LYS 31 H LYS 31 1.829 -8.742 5.275 253 HA LYS 31 HA LYS 31 -0.355 -7.440 6.680 254 1HB LYS 31 1HB LYS 31 2.338 -6.215 6.170 255 2HB LYS 31 2HB LYS 31 1.263 -5.987 7.546 256 1HG LYS 31 2HG LYS 31 2.787 -8.495 6.897 257 2HG LYS 31 1HG LYS 31 3.222 -7.315 8.137 258 1HD LYS 31 1HD LYS 31 1.239 -7.815 9.391 259 2HD LYS 31 2HD LYS 31 0.614 -8.828 8.087 260 1HE LYS 31 2HE LYS 31 2.423 -10.409 8.409 261 2HE LYS 31 1HE LYS 31 3.130 -9.381 9.657 262 1HZ LYS 31 1HZ LYS 31 0.947 -9.671 10.867 263 2HZ LYS 31 2HZ LYS 31 1.947 -11.032 10.791 264 3HZ LYS 31 3HZ LYS 31 0.603 -10.915 9.773 265 H LEU 32 H LEU 32 1.336 -7.306 3.704 266 HA LEU 32 HA LEU 32 0.585 -4.725 2.848 267 1HB LEU 32 1HB LEU 32 2.414 -6.177 1.925 268 2HB LEU 32 2HB LEU 32 1.167 -7.121 1.131 269 HG LEU 32 HG LEU 32 0.492 -5.256 -0.211 270 1HD1 LEU 32 1HD2 LEU 32 2.123 -3.719 1.715 271 2HD1 LEU 32 2HD2 LEU 32 0.608 -3.299 0.918 272 3HD1 LEU 32 3HD2 LEU 32 2.133 -3.173 0.039 273 1HD2 LEU 32 1HD1 LEU 32 3.495 -5.307 -0.216 274 2HD2 LEU 32 2HD1 LEU 32 2.413 -4.995 -1.573 275 3HD2 LEU 32 3HD1 LEU 32 2.492 -6.605 -0.862 276 H GLU 33 H GLU 33 -1.020 -7.789 2.964 277 HA GLU 33 HA GLU 33 -3.110 -6.944 1.119 278 1HB GLU 33 1HB GLU 33 -4.147 -9.095 1.544 279 2HB GLU 33 2HB GLU 33 -2.441 -9.310 1.180 280 1HG GLU 33 1HG GLU 33 -1.917 -9.859 3.386 281 2HG GLU 33 2HG GLU 33 -3.415 -9.168 4.009 282 H VAL 34 H VAL 34 -2.659 -7.444 4.593 283 HA VAL 34 HA VAL 34 -5.349 -6.850 5.291 284 HB VAL 34 HB VAL 34 -4.593 -6.608 7.575 285 1HG1 VAL 34 1HG1 VAL 34 -3.988 -8.799 7.938 286 2HG1 VAL 34 2HG1 VAL 34 -2.903 -8.844 6.550 287 3HG1 VAL 34 3HG1 VAL 34 -4.650 -8.883 6.307 288 1HG2 VAL 34 1HG2 VAL 34 -2.295 -5.561 6.535 289 2HG2 VAL 34 2HG2 VAL 34 -1.762 -7.145 7.093 290 3HG2 VAL 34 3HG2 VAL 34 -2.532 -6.025 8.218 291 H VAL 35 H VAL 35 -2.464 -4.925 4.753 292 HA VAL 35 HA VAL 35 -3.330 -2.522 5.895 293 HB VAL 35 HB VAL 35 -1.009 -2.858 5.095 294 1HG1 VAL 35 1HG1 VAL 35 -0.561 -3.534 3.039 295 2HG1 VAL 35 2HG1 VAL 35 -1.287 -2.065 2.386 296 3HG1 VAL 35 3HG1 VAL 35 -2.281 -3.498 2.653 297 1HG2 VAL 35 1HG2 VAL 35 -1.191 -0.567 3.591 298 2HG2 VAL 35 2HG2 VAL 35 -1.058 -0.647 5.350 299 3HG2 VAL 35 3HG2 VAL 35 -2.644 -0.510 4.590 300 H VAL 36 H VAL 36 -3.749 -3.803 2.586 301 HA VAL 36 HA VAL 36 -5.475 -1.596 1.896 302 HB VAL 36 HB VAL 36 -6.037 -3.548 0.031 303 1HG1 VAL 36 1HG2 VAL 36 -5.363 -1.961 -1.397 304 2HG1 VAL 36 2HG2 VAL 36 -3.802 -1.758 -0.604 305 3HG1 VAL 36 3HG2 VAL 36 -5.242 -0.976 0.066 306 1HG2 VAL 36 1HG1 VAL 36 -4.068 -4.607 -0.667 307 2HG2 VAL 36 2HG1 VAL 36 -4.164 -4.878 1.074 308 3HG2 VAL 36 3HG1 VAL 36 -3.073 -3.651 0.433 309 H ASN 37 H ASN 37 -5.827 -4.869 3.083 310 HA ASN 37 HA ASN 37 -8.426 -5.507 2.568 311 1HB ASN 37 2HB ASN 37 -6.930 -6.881 3.961 312 2HB ASN 37 1HB ASN 37 -7.041 -5.699 5.257 313 1HD2 ASN 37 1HD2 ASN 37 -8.244 -6.390 6.833 314 2HD2 ASN 37 2HD2 ASN 37 -9.714 -7.299 6.683 315 H GLU 38 H GLU 38 -7.198 -3.254 4.932 316 HA GLU 38 HA GLU 38 -9.744 -2.480 5.976 317 1HB GLU 38 2HB GLU 38 -7.088 -1.037 6.057 318 2HB GLU 38 1HB GLU 38 -8.503 -0.619 7.014 319 1HG GLU 38 1HG GLU 38 -7.002 -3.223 7.177 320 2HG GLU 38 2HG GLU 38 -6.829 -1.870 8.294 321 H ARG 39 H ARG 39 -7.556 -1.243 3.518 322 HA ARG 39 HA ARG 39 -9.121 1.078 2.920 323 1HB ARG 39 1HB ARG 39 -6.782 -0.268 1.607 324 2HB ARG 39 2HB ARG 39 -7.611 1.071 0.834 325 1HG ARG 39 1HG ARG 39 -5.703 1.915 1.990 326 2HG ARG 39 2HG ARG 39 -7.153 2.452 2.840 327 1HD ARG 39 2HD ARG 39 -6.853 0.504 4.384 328 2HD ARG 39 1HD ARG 39 -5.297 0.218 3.609 329 HE ARG 39 HE ARG 39 -4.433 1.876 4.896 330 1HH1 ARG 39 1HH1 ARG 39 -7.871 2.381 4.637 331 2HH1 ARG 39 2HH1 ARG 39 -7.879 3.753 5.694 332 1HH2 ARG 39 1HH2 ARG 39 -4.437 3.669 6.301 333 2HH2 ARG 39 2HH2 ARG 39 -5.928 4.482 6.642 334 H ARG 40 H ARG 40 -8.532 -1.968 1.153 335 HA ARG 40 HA ARG 40 -10.079 -1.564 -1.050 336 1HB ARG 40 1HB ARG 40 -9.944 -4.136 0.549 337 2HB ARG 40 2HB ARG 40 -10.490 -4.000 -1.115 338 1HG ARG 40 1HG ARG 40 -7.714 -3.569 -0.054 339 2HG ARG 40 2HG ARG 40 -8.264 -4.827 -1.165 340 1HD ARG 40 1HD ARG 40 -8.126 -1.861 -1.725 341 2HD ARG 40 2HD ARG 40 -7.061 -3.106 -2.377 342 HE ARG 40 HE ARG 40 -9.704 -3.749 -3.042 343 1HH1 ARG 40 1HH1 ARG 40 -7.280 -1.359 -3.781 344 2HH1 ARG 40 2HH1 ARG 40 -7.884 -1.053 -5.375 345 1HH2 ARG 40 1HH2 ARG 40 -10.504 -3.355 -5.139 346 2HH2 ARG 40 2HH2 ARG 40 -9.716 -2.187 -6.148 347 H GLU 41 H GLU 41 -11.135 -2.344 2.214 348 HA GLU 41 HA GLU 41 -13.921 -2.453 1.430 349 1HB GLU 41 1HB GLU 41 -13.275 -4.007 3.103 350 2HB GLU 41 2HB GLU 41 -12.481 -2.759 4.056 351 1HG GLU 41 1HG GLU 41 -14.637 -1.738 4.517 352 2HG GLU 41 2HG GLU 41 -15.440 -2.991 3.573 353 H GLU 42 H GLU 42 -11.885 -0.340 3.480 354 HA GLU 42 HA GLU 42 -14.079 1.520 3.835 355 1HB GLU 42 2HB GLU 42 -11.224 1.631 4.813 356 2HB GLU 42 1HB GLU 42 -12.487 2.773 5.252 357 1HG GLU 42 1HG GLU 42 -12.540 -0.180 5.835 358 2HG GLU 42 2HG GLU 42 -12.083 1.077 6.981 359 H GLU 43 H GLU 43 -10.888 1.547 2.283 360 HA GLU 43 HA GLU 43 -10.881 4.208 1.457 361 1HB GLU 43 2HB GLU 43 -9.076 2.293 1.262 362 2HB GLU 43 1HB GLU 43 -9.769 2.093 -0.339 363 1HG GLU 43 1HG GLU 43 -8.279 4.420 0.791 364 2HG GLU 43 2HG GLU 43 -7.993 3.521 -0.692 365 H SER 44 H SER 44 -12.063 1.300 -0.215 366 HA SER 44 HA SER 44 -12.962 2.520 -2.562 367 1HB SER 44 2HB SER 44 -12.863 0.074 -2.299 368 2HB SER 44 1HB SER 44 -14.154 0.144 -1.098 369 HG SER 44 HG SER 44 -15.516 0.117 -2.681 370 H ALA 45 H ALA 45 -14.345 2.217 0.618 371 HA ALA 45 HA ALA 45 -16.944 3.154 0.090 372 1HB ALA 45 1HB ALA 45 -16.441 3.960 2.654 373 2HB ALA 45 2HB ALA 45 -15.251 2.672 2.436 374 3HB ALA 45 3HB ALA 45 -16.968 2.341 2.189 375 H ALA 46 H ALA 46 -13.919 4.769 0.933 376 HA ALA 46 HA ALA 46 -14.955 7.388 1.179 377 1HB ALA 46 1HB ALA 46 -12.162 6.520 0.416 378 2HB ALA 46 2HB ALA 46 -12.761 6.732 2.063 379 3HB ALA 46 3HB ALA 46 -12.634 8.122 0.984 380 H ALA 47 H ALA 47 -13.590 5.576 -1.525 381 HA ALA 47 HA ALA 47 -13.592 7.690 -3.399 382 1HB ALA 47 1HB ALA 47 -13.513 4.705 -3.651 383 2HB ALA 47 2HB ALA 47 -12.235 5.880 -3.959 384 3HB ALA 47 3HB ALA 47 -13.595 5.743 -5.075 385 H ALA 48 H ALA 48 -15.956 5.158 -2.661 386 HA ALA 48 HA ALA 48 -17.789 5.865 -4.705 387 1HB ALA 48 1HB ALA 48 -19.211 4.666 -2.587 388 2HB ALA 48 2HB ALA 48 -17.618 3.912 -2.629 389 3HB ALA 48 3HB ALA 48 -18.631 3.912 -4.071 390 H GLU 49 H GLU 49 -17.437 6.801 -1.332 391 HA GLU 49 HA GLU 49 -19.842 8.138 -0.948 392 1HB GLU 49 1HB GLU 49 -18.172 7.612 0.822 393 2HB GLU 49 2HB GLU 49 -17.152 8.901 0.199 394 1HG GLU 49 1HG GLU 49 -18.341 9.696 2.114 395 2HG GLU 49 2HG GLU 49 -18.954 10.513 0.679 396 H VAL 50 H VAL 50 -16.883 9.187 -2.508 397 HA VAL 50 HA VAL 50 -16.262 11.145 -3.511 398 HB VAL 50 HB VAL 50 -17.796 11.921 -5.272 399 1HG1 VAL 50 1HG1 VAL 50 -17.167 10.209 -6.545 400 2HG1 VAL 50 2HG1 VAL 50 -18.149 9.063 -5.633 401 3HG1 VAL 50 3HG1 VAL 50 -16.534 9.485 -5.067 402 1HG2 VAL 50 1HG2 VAL 50 -19.953 10.860 -5.613 403 2HG2 VAL 50 2HG2 VAL 50 -19.909 11.686 -4.056 404 3HG2 VAL 50 3HG2 VAL 50 -19.750 9.931 -4.128 405 H GLU 51 H GLU 51 -16.773 11.867 -0.990 406 HA GLU 51 HA GLU 51 -18.780 13.748 -0.524 407 1HB GLU 51 2HB GLU 51 -15.987 13.548 0.613 408 2HB GLU 51 1HB GLU 51 -17.193 14.680 1.206 409 1HG GLU 51 2HG GLU 51 -17.524 11.691 1.169 410 2HG GLU 51 1HG GLU 51 -17.002 12.632 2.565 411 H GLU 52 H GLU 52 -19.131 15.750 -1.237 412 HA GLU 52 HA GLU 52 -16.946 17.462 -2.072 413 1HB GLU 52 2HB GLU 52 -19.100 16.594 -4.010 414 2HB GLU 52 1HB GLU 52 -17.990 17.927 -4.291 415 1HG GLU 52 2HG GLU 52 -17.167 15.062 -3.888 416 2HG GLU 52 1HG GLU 52 -17.350 15.854 -5.452 417 H ARG 53 H ARG 53 -20.467 17.023 -1.944 418 HA ARG 53 HA ARG 53 -20.881 19.336 -0.373 419 1HB ARG 53 2HB ARG 53 -22.133 20.672 -2.075 420 2HB ARG 53 1HB ARG 53 -20.401 20.583 -2.369 421 1HG ARG 53 1HG ARG 53 -20.813 18.791 -4.022 422 2HG ARG 53 2HG ARG 53 -22.547 19.006 -3.775 423 1HD ARG 53 1HD ARG 53 -20.636 21.124 -4.750 424 2HD ARG 53 2HD ARG 53 -21.744 20.200 -5.762 425 HE ARG 53 HE ARG 53 -23.216 21.452 -3.736 426 1HH1 ARG 53 1HH1 ARG 53 -21.365 22.261 -6.574 427 2HH1 ARG 53 2HH1 ARG 53 -22.273 23.698 -6.915 428 1HH2 ARG 53 1HH2 ARG 53 -24.417 23.338 -4.177 429 2HH2 ARG 53 2HH2 ARG 53 -24.009 24.309 -5.551 430 H THR 54 H THR 54 -21.692 16.759 -0.061 431 HA THR 54 HA THR 54 -24.207 16.077 -1.079 432 HB THR 54 HB THR 54 -22.854 14.419 0.040 433 HG1 THR 54 1HG THR 54 -25.032 14.695 1.800 434 1HG2 THR 54 1HG2 THR 54 -23.124 14.770 2.744 435 2HG2 THR 54 2HG2 THR 54 -22.830 16.414 2.180 436 3HG2 THR 54 3HG2 THR 54 -21.672 15.135 1.811 437 H ARG 55 H ARG 55 -26.283 16.440 -0.418 438 HA ARG 55 HA ARG 55 -26.898 18.855 0.855 439 1HB ARG 55 1HB ARG 55 -28.605 16.424 0.316 440 2HB ARG 55 2HB ARG 55 -29.244 17.924 0.973 441 1HG ARG 55 1HG ARG 55 -29.681 17.913 -1.356 442 2HG ARG 55 2HG ARG 55 -28.400 19.089 -1.066 443 1HD ARG 55 2HD ARG 55 -26.731 17.477 -1.792 444 2HD ARG 55 1HD ARG 55 -27.988 16.264 -2.035 445 HE ARG 55 HE ARG 55 -27.212 18.234 -3.877 446 1HH1 ARG 55 1HH1 ARG 55 -30.095 16.761 -2.579 447 2HH1 ARG 55 2HH1 ARG 55 -31.041 17.064 -3.997 448 1HH2 ARG 55 1HH2 ARG 55 -28.455 18.635 -5.745 449 2HH2 ARG 55 2HH2 ARG 55 -30.110 18.128 -5.795 450 H LYS 56 H LYS 56 -27.484 19.403 2.898 451 HA LYS 56 HA LYS 56 -28.161 17.576 4.936 452 1HB LYS 56 1HB LYS 56 -26.043 18.060 6.338 453 2HB LYS 56 2HB LYS 56 -25.968 16.821 5.095 454 1HG LYS 56 2HG LYS 56 -23.965 18.128 5.019 455 2HG LYS 56 1HG LYS 56 -24.918 18.462 3.574 456 1HD LYS 56 1HD LYS 56 -25.743 20.527 4.594 457 2HD LYS 56 2HD LYS 56 -24.787 20.195 6.039 458 1HE LYS 56 1HE LYS 56 -22.738 20.289 4.705 459 2HE LYS 56 2HE LYS 56 -23.694 20.622 3.261 460 1HZ LYS 56 1HZ LYS 56 -24.536 22.528 4.966 461 2HZ LYS 56 2HZ LYS 56 -23.338 22.745 3.790 462 3HZ LYS 56 3HZ LYS 56 -22.902 22.395 5.388 463 H LEU 57 H LEU 57 -29.195 19.982 3.960 464 HA LEU 57 HA LEU 57 -28.513 22.250 5.463 465 1HB LEU 57 2HB LEU 57 -30.579 23.202 4.745 466 2HB LEU 57 1HB LEU 57 -29.924 22.265 3.418 467 HG LEU 57 HG LEU 57 -32.138 21.328 5.250 468 1HD1 LEU 57 1HD1 LEU 57 -32.128 22.886 2.740 469 2HD1 LEU 57 2HD1 LEU 57 -33.296 22.867 4.062 470 3HD1 LEU 57 3HD1 LEU 57 -33.306 21.579 2.856 471 1HD2 LEU 57 1HD2 LEU 57 -31.580 19.323 4.447 472 2HD2 LEU 57 2HD2 LEU 57 -30.517 20.013 3.221 473 3HD2 LEU 57 3HD2 LEU 57 -32.248 19.888 2.915 474 H SER 1 1HT SER 1 -11.787 -8.297 1.389 475 HA SER 1 HA SER 1 -11.743 -10.275 0.439 476 1HB SER 1 2HB SER 1 -14.015 -9.563 -0.161 477 2HB SER 1 1HB SER 1 -13.410 -8.862 -1.662 478 HG SER 1 HG SER 1 -12.557 -11.336 -1.628 479 H GLU 2 H GLU 2 -11.161 -7.819 -2.050 480 HA GLU 2 HA GLU 2 -9.708 -9.577 -3.757 481 1HB GLU 2 2HB GLU 2 -9.231 -7.647 -5.101 482 2HB GLU 2 1HB GLU 2 -10.906 -7.566 -4.579 483 1HG GLU 2 2HG GLU 2 -8.630 -6.045 -3.331 484 2HG GLU 2 1HG GLU 2 -9.760 -5.395 -4.516 485 H ALA 3 H ALA 3 -8.881 -7.730 -0.974 486 HA ALA 3 HA ALA 3 -6.052 -7.581 -1.577 487 1HB ALA 3 1HB ALA 3 -5.800 -6.572 0.579 488 2HB ALA 3 2HB ALA 3 -7.394 -7.131 1.090 489 3HB ALA 3 3HB ALA 3 -7.252 -5.891 -0.156 490 H LEU 4 H LEU 4 -8.256 -9.700 -0.109 491 HA LEU 4 HA LEU 4 -6.274 -11.301 1.246 492 1HB LEU 4 2HB LEU 4 -9.225 -11.747 0.782 493 2HB LEU 4 1HB LEU 4 -8.212 -12.663 1.886 494 HG LEU 4 HG LEU 4 -9.395 -11.165 3.261 495 1HD1 LEU 4 1HD1 LEU 4 -7.177 -11.125 3.987 496 2HD1 LEU 4 2HD1 LEU 4 -7.637 -9.423 3.899 497 3HD1 LEU 4 3HD1 LEU 4 -6.657 -10.140 2.618 498 1HD2 LEU 4 1HD2 LEU 4 -10.058 -9.040 2.746 499 2HD2 LEU 4 2HD2 LEU 4 -9.956 -9.720 1.122 500 3HD2 LEU 4 3HD2 LEU 4 -8.643 -8.719 1.741 501 H LYS 5 H LYS 5 -8.281 -11.306 -1.577 502 HA LYS 5 HA LYS 5 -7.451 -13.913 -2.479 503 1HB LYS 5 2HB LYS 5 -9.750 -13.202 -2.857 504 2HB LYS 5 1HB LYS 5 -9.192 -11.809 -3.775 505 1HG LYS 5 2HG LYS 5 -10.032 -13.710 -5.151 506 2HG LYS 5 1HG LYS 5 -8.386 -13.190 -5.534 507 1HD LYS 5 1HD LYS 5 -7.480 -15.015 -4.214 508 2HD LYS 5 2HD LYS 5 -9.110 -15.523 -3.767 509 1HE LYS 5 2HE LYS 5 -8.206 -16.907 -5.573 510 2HE LYS 5 1HE LYS 5 -9.623 -16.000 -6.100 511 1HZ LYS 5 1HZ LYS 5 -7.857 -15.954 -7.753 512 2HZ LYS 5 2HZ LYS 5 -6.802 -15.245 -6.639 513 3HZ LYS 5 3HZ LYS 5 -8.170 -14.398 -7.163 514 H ILE 6 H ILE 6 -6.457 -10.630 -2.929 515 HA ILE 6 HA ILE 6 -5.344 -10.663 -5.466 516 HB ILE 6 HB ILE 6 -5.384 -8.605 -4.165 517 1HG1 ILE 6 2HG1 ILE 6 -2.539 -9.527 -4.617 518 2HG1 ILE 6 1HG1 ILE 6 -3.613 -8.894 -5.850 519 1HG2 ILE 6 1HG2 ILE 6 -3.187 -9.540 -2.389 520 2HG2 ILE 6 2HG2 ILE 6 -4.852 -9.978 -2.002 521 3HG2 ILE 6 3HG2 ILE 6 -4.394 -8.279 -2.130 522 1HD1 ILE 6 1HD1 ILE 6 -2.576 -6.960 -5.385 523 2HD1 ILE 6 2HD1 ILE 6 -2.074 -7.511 -3.783 524 3HD1 ILE 6 3HD1 ILE 6 -3.713 -6.908 -4.037 525 H LEU 7 H LEU 7 -3.952 -11.458 -2.385 526 HA LEU 7 HA LEU 7 -1.698 -12.787 -3.646 527 1HB LEU 7 1HB LEU 7 -0.488 -12.070 -1.892 528 2HB LEU 7 2HB LEU 7 -1.860 -11.029 -1.547 529 HG LEU 7 HG LEU 7 -2.669 -13.160 -0.181 530 1HD1 LEU 7 1HD1 LEU 7 0.001 -13.841 -0.911 531 2HD1 LEU 7 2HD1 LEU 7 -1.154 -14.759 0.054 532 3HD1 LEU 7 3HD1 LEU 7 -0.075 -13.601 0.837 533 1HD2 LEU 7 1HD2 LEU 7 -2.538 -11.221 1.014 534 2HD2 LEU 7 2HD2 LEU 7 -0.872 -10.903 0.529 535 3HD2 LEU 7 3HD2 LEU 7 -1.217 -12.132 1.746 536 H ASN 8 H ASN 8 -4.714 -13.355 -2.423 537 HA ASN 8 HA ASN 8 -5.897 -15.235 -1.899 538 1HB ASN 8 2HB ASN 8 -3.445 -16.725 -2.872 539 2HB ASN 8 1HB ASN 8 -5.052 -17.413 -2.638 540 1HD2 ASN 8 1HD2 ASN 8 -6.155 -17.662 -4.420 541 2HD2 ASN 8 2HD2 ASN 8 -6.035 -16.683 -5.851 542 H ASN 9 H ASN 9 -4.050 -13.948 0.009 543 HA ASN 9 HA ASN 9 -3.375 -14.194 2.158 544 1HB ASN 9 1HB ASN 9 -4.983 -16.749 1.981 545 2HB ASN 9 2HB ASN 9 -4.330 -16.078 3.473 546 1HD2 ASN 9 1HD2 ASN 9 -5.151 -13.487 1.608 547 2HD2 ASN 9 2HD2 ASN 9 -6.748 -13.219 2.199 548 H ILE 10 H ILE 10 -1.441 -14.674 2.908 549 HA ILE 10 HA ILE 10 0.407 -16.283 1.583 550 HB ILE 10 HB ILE 10 1.873 -15.990 3.482 551 1HG1 ILE 10 2HG1 ILE 10 0.200 -16.376 5.267 552 2HG1 ILE 10 1HG1 ILE 10 1.152 -14.921 5.543 553 1HG2 ILE 10 1HG2 ILE 10 1.272 -13.355 3.728 554 2HG2 ILE 10 2HG2 ILE 10 0.391 -13.780 2.258 555 3HG2 ILE 10 3HG2 ILE 10 2.129 -14.073 2.360 556 1HD1 ILE 10 1HD1 ILE 10 -1.124 -14.484 6.109 557 2HD1 ILE 10 2HD1 ILE 10 -1.677 -15.065 4.538 558 3HD1 ILE 10 3HD1 ILE 10 -0.726 -13.581 4.647 559 H ARG 11 H ARG 11 -2.024 -17.188 3.845 560 HA ARG 11 HA ARG 11 -0.813 -19.433 5.011 561 1HB ARG 11 1HB ARG 11 -3.122 -20.180 5.510 562 2HB ARG 11 2HB ARG 11 -2.823 -18.506 5.953 563 1HG ARG 11 2HG ARG 11 -3.920 -17.825 3.815 564 2HG ARG 11 1HG ARG 11 -4.361 -19.518 3.575 565 1HD ARG 11 1HD ARG 11 -5.171 -17.762 5.888 566 2HD ARG 11 2HD ARG 11 -6.208 -18.310 4.571 567 HE ARG 11 HE ARG 11 -5.119 -20.562 5.815 568 1HH1 ARG 11 1HH1 ARG 11 -7.328 -17.960 6.522 569 2HH1 ARG 11 2HH1 ARG 11 -8.254 -18.882 7.657 570 1HH2 ARG 11 1HH2 ARG 11 -6.330 -21.782 7.312 571 2HH2 ARG 11 2HH2 ARG 11 -7.686 -21.055 8.108 572 H THR 12 H THR 12 -3.130 -19.388 2.264 573 HA THR 12 HA THR 12 -2.553 -22.139 1.658 574 HB THR 12 HB THR 12 -4.791 -21.130 1.204 575 HG1 THR 12 1HG THR 12 -4.907 -22.079 -0.967 576 1HG2 THR 12 1HG2 THR 12 -3.537 -19.856 -1.210 577 2HG2 THR 12 2HG2 THR 12 -3.766 -18.971 0.296 578 3HG2 THR 12 3HG2 THR 12 -5.161 -19.626 -0.562 579 H LEU 13 H LEU 13 -1.474 -19.010 0.594 580 HA LEU 13 HA LEU 13 -0.281 -19.744 -1.839 581 1HB LEU 13 1HB LEU 13 -0.701 -17.406 -1.068 582 2HB LEU 13 2HB LEU 13 0.623 -17.583 0.066 583 HG LEU 13 HG LEU 13 0.940 -17.818 -2.926 584 1HD1 LEU 13 1HD2 LEU 13 1.345 -15.458 -1.104 585 2HD1 LEU 13 2HD2 LEU 13 0.237 -15.585 -2.470 586 3HD1 LEU 13 3HD2 LEU 13 1.979 -15.561 -2.746 587 1HD2 LEU 13 1HD1 LEU 13 2.944 -17.542 -0.692 588 2HD2 LEU 13 2HD1 LEU 13 3.326 -17.495 -2.413 589 3HD2 LEU 13 3HD1 LEU 13 2.676 -18.972 -1.694 590 H ARG 14 H ARG 14 1.125 -19.412 1.413 591 HA ARG 14 HA ARG 14 3.723 -20.090 0.963 592 1HB ARG 14 1HB ARG 14 2.914 -19.482 3.168 593 2HB ARG 14 2HB ARG 14 1.946 -20.947 3.256 594 1HG ARG 14 1HG ARG 14 3.940 -21.159 4.607 595 2HG ARG 14 2HG ARG 14 3.990 -22.293 3.255 596 1HD ARG 14 2HD ARG 14 5.420 -20.720 2.020 597 2HD ARG 14 1HD ARG 14 5.407 -19.637 3.411 598 HE ARG 14 HE ARG 14 7.097 -21.853 3.051 599 1HH1 ARG 14 1HH1 ARG 14 5.167 -20.320 5.516 600 2HH1 ARG 14 2HH1 ARG 14 6.145 -20.900 6.821 601 1HH2 ARG 14 1HH2 ARG 14 8.388 -22.618 4.763 602 2HH2 ARG 14 2HH2 ARG 14 7.975 -22.205 6.394 603 H ALA 15 H ALA 15 0.936 -22.168 0.967 604 HA ALA 15 HA ALA 15 2.459 -24.616 0.850 605 1HB ALA 15 1HB ALA 15 0.245 -24.455 1.950 606 2HB ALA 15 2HB ALA 15 0.341 -25.720 0.726 607 3HB ALA 15 3HB ALA 15 -0.475 -24.201 0.360 608 H GLN 16 H GLN 16 0.415 -22.753 -1.406 609 HA GLN 16 HA GLN 16 0.746 -24.540 -3.581 610 1HB GLN 16 2HB GLN 16 -0.278 -22.899 -4.934 611 2HB GLN 16 1HB GLN 16 -0.986 -22.657 -3.343 612 1HG GLN 16 2HG GLN 16 0.544 -20.799 -2.940 613 2HG GLN 16 1HG GLN 16 1.260 -21.043 -4.530 614 1HE2 GLN 16 1HE2 GLN 16 -0.605 -19.012 -2.983 615 2HE2 GLN 16 2HE2 GLN 16 -1.712 -18.536 -4.228 616 H ALA 17 H ALA 17 2.515 -21.842 -2.386 617 HA ALA 17 HA ALA 17 4.398 -21.797 -4.574 618 1HB ALA 17 1HB ALA 17 4.963 -20.237 -2.147 619 2HB ALA 17 2HB ALA 17 3.468 -19.837 -2.997 620 3HB ALA 17 3HB ALA 17 5.018 -19.765 -3.847 621 H ARG 18 H ARG 18 4.016 -23.301 -1.523 622 HA ARG 18 HA ARG 18 6.522 -23.610 -0.496 623 1HB ARG 18 2HB ARG 18 4.512 -24.627 0.465 624 2HB ARG 18 1HB ARG 18 4.434 -25.763 -0.872 625 1HG ARG 18 2HG ARG 18 6.560 -26.738 -0.165 626 2HG ARG 18 1HG ARG 18 6.616 -25.606 1.191 627 1HD ARG 18 2HD ARG 18 4.524 -26.514 2.041 628 2HD ARG 18 1HD ARG 18 4.445 -27.630 0.681 629 HE ARG 18 HE ARG 18 6.883 -28.006 2.020 630 1HH1 ARG 18 1HH1 ARG 18 3.467 -28.499 2.499 631 2HH1 ARG 18 2HH1 ARG 18 3.682 -29.846 3.567 632 1HH2 ARG 18 1HH2 ARG 18 7.174 -29.779 3.425 633 2HH2 ARG 18 2HH2 ARG 18 5.789 -30.573 4.093 634 H GLU 19 H GLU 19 5.211 -24.929 -3.423 635 HA GLU 19 HA GLU 19 7.780 -26.263 -3.997 636 1HB GLU 19 1HB GLU 19 6.520 -27.635 -5.630 637 2HB GLU 19 2HB GLU 19 5.943 -27.849 -3.983 638 1HG GLU 19 2HG GLU 19 4.075 -26.343 -4.441 639 2HG GLU 19 1HG GLU 19 4.651 -26.138 -6.095 640 H SER 20 H SER 20 7.666 -23.554 -4.303 641 HA SER 20 HA SER 20 8.328 -23.218 -7.046 642 1HB SER 20 1HB SER 20 5.893 -23.114 -7.298 643 2HB SER 20 2HB SER 20 5.808 -21.851 -6.071 644 HG SER 20 HG SER 20 5.799 -21.085 -8.281 645 H THR 21 H THR 21 8.997 -20.989 -7.529 646 HA THR 21 HA THR 21 10.614 -19.929 -5.462 647 HB THR 21 HB THR 21 9.893 -18.666 -8.116 648 HG1 THR 21 1HG THR 21 11.777 -20.613 -7.342 649 1HG2 THR 21 1HG2 THR 21 10.866 -17.002 -6.715 650 2HG2 THR 21 2HG2 THR 21 12.138 -17.557 -7.803 651 3HG2 THR 21 3HG2 THR 21 12.099 -18.121 -6.133 652 H LEU 22 H LEU 22 10.553 -17.776 -4.564 653 HA LEU 22 HA LEU 22 8.067 -17.065 -3.516 654 1HB LEU 22 1HB LEU 22 9.219 -15.691 -2.181 655 2HB LEU 22 2HB LEU 22 10.631 -16.471 -2.871 656 HG LEU 22 HG LEU 22 9.445 -13.907 -3.909 657 1HD1 LEU 22 1HD1 LEU 22 11.750 -14.357 -2.028 658 2HD1 LEU 22 2HD1 LEU 22 10.214 -13.568 -1.654 659 3HD1 LEU 22 3HD1 LEU 22 11.342 -12.817 -2.785 660 1HD2 LEU 22 1HD2 LEU 22 11.171 -13.757 -5.372 661 2HD2 LEU 22 2HD2 LEU 22 10.971 -15.511 -5.325 662 3HD2 LEU 22 3HD2 LEU 22 12.247 -14.743 -4.381 663 H GLU 23 H GLU 23 9.353 -16.488 -6.561 664 HA GLU 23 HA GLU 23 8.730 -14.013 -7.395 665 1HB GLU 23 1HB GLU 23 9.519 -15.784 -8.890 666 2HB GLU 23 2HB GLU 23 7.951 -16.570 -8.809 667 1HG GLU 23 1HG GLU 23 6.926 -14.625 -9.881 668 2HG GLU 23 2HG GLU 23 8.509 -13.857 -9.984 669 H THR 24 H THR 24 6.466 -16.367 -6.240 670 HA THR 24 HA THR 24 4.072 -15.445 -7.305 671 HB THR 24 HB THR 24 4.089 -17.468 -5.999 672 HG1 THR 24 1HG THR 24 2.538 -16.228 -4.197 673 1HG2 THR 24 1HG2 THR 24 5.805 -16.230 -4.321 674 2HG2 THR 24 2HG2 THR 24 4.923 -17.702 -3.912 675 3HG2 THR 24 3HG2 THR 24 4.316 -16.133 -3.381 676 H LEU 25 H LEU 25 6.015 -14.192 -4.643 677 HA LEU 25 HA LEU 25 4.085 -12.271 -3.844 678 1HB LEU 25 2HB LEU 25 6.040 -11.204 -2.620 679 2HB LEU 25 1HB LEU 25 5.513 -12.788 -2.114 680 HG LEU 25 HG LEU 25 7.447 -13.789 -3.303 681 1HD1 LEU 25 1HD2 LEU 25 9.155 -11.572 -3.510 682 2HD1 LEU 25 2HD2 LEU 25 7.688 -11.147 -4.389 683 3HD1 LEU 25 3HD2 LEU 25 8.574 -12.620 -4.808 684 1HD2 LEU 25 1HD1 LEU 25 7.467 -12.106 -0.958 685 2HD2 LEU 25 2HD1 LEU 25 9.060 -12.192 -1.709 686 3HD2 LEU 25 3HD1 LEU 25 8.229 -13.672 -1.231 687 H GLU 26 H GLU 26 7.022 -12.094 -5.883 688 HA GLU 26 HA GLU 26 6.820 -9.316 -6.282 689 1HB GLU 26 1HB GLU 26 8.254 -9.588 -8.212 690 2HB GLU 26 2HB GLU 26 8.839 -10.608 -6.908 691 1HG GLU 26 1HG GLU 26 7.846 -12.556 -7.964 692 2HG GLU 26 2HG GLU 26 7.206 -11.542 -9.256 693 H GLU 27 H GLU 27 4.969 -11.958 -7.294 694 HA GLU 27 HA GLU 27 3.757 -10.619 -9.562 695 1HB GLU 27 1HB GLU 27 3.992 -13.022 -9.675 696 2HB GLU 27 2HB GLU 27 3.135 -13.221 -8.153 697 1HG GLU 27 1HG GLU 27 1.690 -13.806 -9.973 698 2HG GLU 27 2HG GLU 27 1.101 -12.333 -9.205 699 H MET 28 H MET 28 2.582 -11.872 -6.443 700 HA MET 28 HA MET 28 0.229 -10.188 -6.594 701 1HB MET 28 1HB MET 28 1.047 -12.220 -4.516 702 2HB MET 28 2HB MET 28 -0.521 -11.426 -4.617 703 1HG MET 28 2HG MET 28 -0.959 -12.483 -6.745 704 2HG MET 28 1HG MET 28 0.646 -13.208 -6.742 705 1HE MET 28 1HE MET 28 -0.761 -16.302 -6.551 706 2HE MET 28 2HE MET 28 -1.074 -14.874 -7.539 707 3HE MET 28 3HE MET 28 -2.364 -15.566 -6.556 708 H LEU 29 H LEU 29 3.002 -10.622 -4.424 709 HA LEU 29 HA LEU 29 2.281 -8.674 -2.508 710 1HB LEU 29 2HB LEU 29 3.902 -10.271 -1.911 711 2HB LEU 29 1HB LEU 29 4.906 -9.930 -3.299 712 HG LEU 29 HG LEU 29 5.440 -7.701 -2.271 713 1HD1 LEU 29 1HD2 LEU 29 4.550 -6.995 -0.344 714 2HD1 LEU 29 2HD2 LEU 29 4.611 -8.600 0.384 715 3HD1 LEU 29 3HD2 LEU 29 3.279 -8.168 -0.689 716 1HD2 LEU 29 1HD1 LEU 29 6.657 -8.904 -0.230 717 2HD2 LEU 29 2HD1 LEU 29 7.175 -9.129 -1.904 718 3HD2 LEU 29 3HD1 LEU 29 6.155 -10.340 -1.124 719 H GLU 30 H GLU 30 3.716 -8.374 -5.661 720 HA GLU 30 HA GLU 30 4.709 -5.706 -5.283 721 1HB GLU 30 1HB GLU 30 5.718 -7.073 -6.993 722 2HB GLU 30 2HB GLU 30 4.165 -7.320 -7.778 723 1HG GLU 30 2HG GLU 30 4.068 -4.927 -8.311 724 2HG GLU 30 1HG GLU 30 5.649 -4.710 -7.560 725 H LYS 31 H LYS 31 1.716 -7.150 -6.363 726 HA LYS 31 HA LYS 31 0.627 -4.601 -7.246 727 1HB LYS 31 1HB LYS 31 -0.914 -7.168 -6.960 728 2HB LYS 31 2HB LYS 31 -1.213 -5.824 -8.058 729 1HG LYS 31 2HG LYS 31 1.091 -7.748 -8.179 730 2HG LYS 31 1HG LYS 31 -0.309 -7.726 -9.256 731 1HD LYS 31 1HD LYS 31 0.341 -5.543 -10.096 732 2HD LYS 31 2HD LYS 31 1.687 -5.480 -8.954 733 1HE LYS 31 1HE LYS 31 2.461 -6.101 -11.178 734 2HE LYS 31 2HE LYS 31 2.704 -7.418 -10.032 735 1HZ LYS 31 1HZ LYS 31 0.211 -7.411 -11.551 736 2HZ LYS 31 2HZ LYS 31 1.167 -8.712 -11.050 737 3HZ LYS 31 3HZ LYS 31 1.625 -7.796 -12.396 738 H LEU 32 H LEU 32 0.627 -6.711 -4.562 739 HA LEU 32 HA LEU 32 -1.650 -5.726 -3.206 740 1HB LEU 32 2HB LEU 32 -0.550 -7.897 -2.784 741 2HB LEU 32 1HB LEU 32 0.816 -7.042 -2.094 742 HG LEU 32 HG LEU 32 -0.594 -6.186 -0.300 743 1HD1 LEU 32 1HD2 LEU 32 -2.717 -7.059 -2.102 744 2HD1 LEU 32 2HD2 LEU 32 -2.737 -5.841 -0.827 745 3HD1 LEU 32 3HD2 LEU 32 -2.973 -7.542 -0.426 746 1HD2 LEU 32 1HD1 LEU 32 -1.110 -9.131 -0.652 747 2HD2 LEU 32 2HD1 LEU 32 -1.018 -8.231 0.861 748 3HD2 LEU 32 3HD1 LEU 32 0.427 -8.449 -0.124 749 H GLU 33 H GLU 33 1.592 -4.634 -3.633 750 HA GLU 33 HA GLU 33 1.408 -2.759 -1.409 751 1HB GLU 33 2HB GLU 33 3.652 -2.052 -2.013 752 2HB GLU 33 1HB GLU 33 3.578 -3.799 -1.881 753 1HG GLU 33 2HG GLU 33 4.750 -3.698 -3.795 754 2HG GLU 33 1HG GLU 33 3.150 -3.542 -4.508 755 H VAL 34 H VAL 34 1.197 -2.812 -4.921 756 HA VAL 34 HA VAL 34 1.074 0.012 -5.224 757 HB VAL 34 HB VAL 34 0.345 -0.325 -7.472 758 1HG1 VAL 34 1HG1 VAL 34 2.024 -2.121 -8.222 759 2HG1 VAL 34 2HG1 VAL 34 2.420 -2.256 -6.509 760 3HG1 VAL 34 3HG1 VAL 34 2.629 -0.717 -7.344 761 1HG2 VAL 34 1HG2 VAL 34 -1.373 -2.045 -6.954 762 2HG2 VAL 34 2HG2 VAL 34 -0.081 -3.241 -6.860 763 3HG2 VAL 34 3HG2 VAL 34 -0.400 -2.408 -8.380 764 H VAL 35 H VAL 35 -1.325 -2.523 -4.626 765 HA VAL 35 HA VAL 35 -3.639 -1.029 -5.137 766 HB VAL 35 HB VAL 35 -4.739 -2.364 -3.280 767 1HG1 VAL 35 1HG2 VAL 35 -5.197 -4.006 -4.704 768 2HG1 VAL 35 2HG2 VAL 35 -3.501 -4.452 -4.898 769 3HG1 VAL 35 3HG2 VAL 35 -4.169 -3.104 -5.824 770 1HG2 VAL 35 1HG1 VAL 35 -3.442 -4.349 -2.492 771 2HG2 VAL 35 2HG1 VAL 35 -2.941 -2.797 -1.824 772 3HG2 VAL 35 3HG1 VAL 35 -1.995 -3.552 -3.106 773 H VAL 36 H VAL 36 -1.795 -1.416 -2.106 774 HA VAL 36 HA VAL 36 -3.285 0.678 -0.832 775 HB VAL 36 HB VAL 36 -0.951 0.493 0.629 776 1HG1 VAL 36 1HG2 VAL 36 -3.169 -1.299 1.370 777 2HG1 VAL 36 2HG2 VAL 36 -3.581 0.398 1.083 778 3HG1 VAL 36 3HG2 VAL 36 -2.368 -0.029 2.294 779 1HG2 VAL 36 1HG1 VAL 36 -0.288 -1.717 0.853 780 2HG2 VAL 36 2HG1 VAL 36 -0.450 -1.509 -0.890 781 3HG2 VAL 36 3HG1 VAL 36 -1.715 -2.331 0.021 782 H ASN 37 H ASN 37 -0.389 0.527 -2.760 783 HA ASN 37 HA ASN 37 0.940 2.822 -1.991 784 1HB ASN 37 1HB ASN 37 1.837 1.379 -3.728 785 2HB ASN 37 2HB ASN 37 0.479 1.752 -4.789 786 1HD2 ASN 37 2HD2 ASN 37 1.026 3.033 -6.365 787 2HD2 ASN 37 1HD2 ASN 37 2.164 4.343 -6.281 788 H GLU 38 H GLU 38 -1.903 2.463 -4.012 789 HA GLU 38 HA GLU 38 -2.189 5.239 -4.610 790 1HB GLU 38 1HB GLU 38 -4.241 3.015 -4.620 791 2HB GLU 38 2HB GLU 38 -4.476 4.613 -5.316 792 1HG GLU 38 2HG GLU 38 -2.443 2.580 -6.208 793 2HG GLU 38 1HG GLU 38 -3.958 2.962 -7.025 794 H ARG 39 H ARG 39 -3.217 3.090 -2.081 795 HA ARG 39 HA ARG 39 -5.021 4.936 -0.828 796 1HB ARG 39 1HB ARG 39 -3.877 2.265 -0.058 797 2HB ARG 39 2HB ARG 39 -4.854 3.198 1.065 798 1HG ARG 39 2HG ARG 39 -6.203 1.564 -0.053 799 2HG ARG 39 1HG ARG 39 -6.700 3.183 -0.532 800 1HD ARG 39 2HD ARG 39 -5.215 2.879 -2.556 801 2HD ARG 39 1HD ARG 39 -5.114 1.183 -2.095 802 HE ARG 39 HE ARG 39 -7.199 0.877 -2.959 803 1HH1 ARG 39 1HH1 ARG 39 -6.736 4.277 -2.352 804 2HH1 ARG 39 2HH1 ARG 39 -8.275 4.734 -2.998 805 1HH2 ARG 39 1HH2 ARG 39 -9.227 1.472 -3.818 806 2HH2 ARG 39 2HH2 ARG 39 -9.690 3.141 -3.834 807 H ARG 40 H ARG 40 -1.698 3.869 -0.212 808 HA ARG 40 HA ARG 40 -1.300 5.107 2.228 809 1HB ARG 40 2HB ARG 40 0.687 4.709 -0.027 810 2HB ARG 40 1HB ARG 40 1.119 5.158 1.616 811 1HG ARG 40 2HG ARG 40 -0.058 2.554 0.662 812 2HG ARG 40 1HG ARG 40 1.518 2.824 1.409 813 1HD ARG 40 2HD ARG 40 -1.193 3.054 2.711 814 2HD ARG 40 1HD ARG 40 0.060 1.859 3.046 815 HE ARG 40 HE ARG 40 1.157 4.371 3.516 816 1HH1 ARG 40 1HH1 ARG 40 -1.364 2.337 4.801 817 2HH1 ARG 40 2HH1 ARG 40 -1.250 2.987 6.402 818 1HH2 ARG 40 1HH2 ARG 40 1.312 5.235 5.622 819 2HH2 ARG 40 2HH2 ARG 40 0.270 4.633 6.869 820 H GLU 41 H GLU 41 -1.200 6.349 -1.047 821 HA GLU 41 HA GLU 41 -0.455 9.006 -0.160 822 1HB GLU 41 1HB GLU 41 0.525 8.306 -2.204 823 2HB GLU 41 2HB GLU 41 -1.026 7.794 -2.855 824 1HG GLU 41 1HG GLU 41 -1.764 10.108 -2.919 825 2HG GLU 41 2HG GLU 41 -0.206 10.630 -2.278 826 H GLU 42 H GLU 42 -3.306 7.473 -1.680 827 HA GLU 42 HA GLU 42 -4.811 9.939 -1.466 828 1HB GLU 42 1HB GLU 42 -5.608 7.231 -2.528 829 2HB GLU 42 2HB GLU 42 -6.609 8.673 -2.595 830 1HG GLU 42 1HG GLU 42 -3.921 8.360 -3.910 831 2HG GLU 42 2HG GLU 42 -5.481 8.210 -4.718 832 H GLU 43 H GLU 43 -5.011 6.665 -0.081 833 HA GLU 43 HA GLU 43 -7.384 7.062 1.343 834 1HB GLU 43 2HB GLU 43 -6.094 4.889 0.961 835 2HB GLU 43 1HB GLU 43 -5.129 5.358 2.353 836 1HG GLU 43 2HG GLU 43 -8.097 4.868 2.302 837 2HG GLU 43 1HG GLU 43 -6.866 3.844 3.030 838 H SER 44 H SER 44 -4.003 7.536 2.342 839 HA SER 44 HA SER 44 -4.470 8.361 4.964 840 1HB SER 44 2HB SER 44 -2.298 9.487 4.837 841 2HB SER 44 1HB SER 44 -2.210 7.924 4.025 842 HG SER 44 HG SER 44 -2.670 9.183 2.048 843 H ALA 45 H ALA 45 -4.732 9.980 1.909 844 HA ALA 45 HA ALA 45 -5.084 12.630 2.835 845 1HB ALA 45 1HB ALA 45 -4.704 12.765 0.618 846 2HB ALA 45 2HB ALA 45 -6.448 12.540 0.473 847 3HB ALA 45 3HB ALA 45 -5.361 11.154 0.312 848 H ALA 46 H ALA 46 -7.291 9.970 2.097 849 HA ALA 46 HA ALA 46 -9.714 11.353 2.476 850 1HB ALA 46 1HB ALA 46 -9.341 9.064 1.405 851 2HB ALA 46 2HB ALA 46 -10.765 9.248 2.429 852 3HB ALA 46 3HB ALA 46 -9.332 8.424 3.050 853 H ALA 47 H ALA 47 -7.608 9.583 4.683 854 HA ALA 47 HA ALA 47 -9.358 9.757 6.931 855 1HB ALA 47 1HB ALA 47 -6.413 9.155 6.724 856 2HB ALA 47 2HB ALA 47 -7.738 8.000 6.876 857 3HB ALA 47 3HB ALA 47 -7.337 9.067 8.224 858 H ALA 48 H ALA 48 -6.557 11.622 5.840 859 HA ALA 48 HA ALA 48 -6.314 13.292 8.075 860 1HB ALA 48 1HB ALA 48 -5.416 14.863 6.050 861 2HB ALA 48 2HB ALA 48 -5.306 13.260 5.323 862 3HB ALA 48 3HB ALA 48 -4.470 13.601 6.838 863 H GLU 49 H GLU 49 -8.116 13.750 5.040 864 HA GLU 49 HA GLU 49 -9.051 16.338 5.629 865 1HB GLU 49 1HB GLU 49 -10.709 15.964 3.870 866 2HB GLU 49 2HB GLU 49 -9.118 15.411 3.367 867 1HG GLU 49 2HG GLU 49 -9.762 13.109 3.856 868 2HG GLU 49 1HG GLU 49 -11.357 13.663 4.360 869 H VAL 50 H VAL 50 -10.304 13.149 6.395 870 HA VAL 50 HA VAL 50 -12.161 12.451 7.533 871 HB VAL 50 HB VAL 50 -10.554 13.072 9.308 872 1HG1 VAL 50 1HG1 VAL 50 -12.121 15.634 9.540 873 2HG1 VAL 50 2HG1 VAL 50 -10.502 15.501 8.856 874 3HG1 VAL 50 3HG1 VAL 50 -10.775 15.116 10.556 875 1HG2 VAL 50 1HG2 VAL 50 -12.206 12.004 10.383 876 2HG2 VAL 50 2HG2 VAL 50 -13.468 12.988 9.640 877 3HG2 VAL 50 3HG2 VAL 50 -12.572 13.604 11.028 878 H GLU 51 H GLU 51 -13.027 14.001 5.499 879 HA GLU 51 HA GLU 51 -14.619 16.212 6.163 880 1HB GLU 51 2HB GLU 51 -13.941 15.432 3.844 881 2HB GLU 51 1HB GLU 51 -15.216 14.230 3.964 882 1HG GLU 51 2HG GLU 51 -15.642 17.202 4.145 883 2HG GLU 51 1HG GLU 51 -15.859 16.238 2.686 884 H GLU 52 H GLU 52 -16.703 16.433 6.841 885 HA GLU 52 HA GLU 52 -18.502 14.204 7.020 886 1HB GLU 52 1HB GLU 52 -18.752 14.273 9.475 887 2HB GLU 52 2HB GLU 52 -17.155 13.731 8.980 888 1HG GLU 52 2HG GLU 52 -16.278 15.985 9.417 889 2HG GLU 52 1HG GLU 52 -17.878 16.477 9.973 890 H ARG 53 H ARG 53 -17.729 17.525 7.904 891 HA ARG 53 HA ARG 53 -20.430 18.317 7.163 892 1HB ARG 53 1HB ARG 53 -19.217 19.094 9.823 893 2HB ARG 53 2HB ARG 53 -20.731 19.703 9.170 894 1HG ARG 53 1HG ARG 53 -21.553 17.321 9.171 895 2HG ARG 53 2HG ARG 53 -20.112 16.919 10.107 896 1HD ARG 53 1HD ARG 53 -22.296 18.849 10.875 897 2HD ARG 53 2HD ARG 53 -21.958 17.284 11.612 898 HE ARG 53 HE ARG 53 -20.748 19.737 12.278 899 1HH1 ARG 53 1HH1 ARG 53 -19.964 16.374 11.808 900 2HH1 ARG 53 2HH1 ARG 53 -18.603 16.411 12.880 901 1HH2 ARG 53 1HH2 ARG 53 -18.961 19.793 13.686 902 2HH2 ARG 53 2HH2 ARG 53 -18.034 18.355 13.948 903 H THR 54 H THR 54 -17.206 19.302 8.223 904 HA THR 54 HA THR 54 -15.911 21.113 7.745 905 HB THR 54 HB THR 54 -15.789 21.763 5.386 906 HG1 THR 54 1HG THR 54 -17.756 21.772 4.515 907 1HG2 THR 54 1HG2 THR 54 -14.561 19.900 5.284 908 2HG2 THR 54 2HG2 THR 54 -15.986 19.100 4.623 909 3HG2 THR 54 3HG2 THR 54 -15.662 19.034 6.355 910 H ARG 55 H ARG 55 -16.955 23.061 5.545 911 HA ARG 55 HA ARG 55 -19.215 24.378 6.573 912 1HB ARG 55 1HB ARG 55 -18.130 26.351 7.582 913 2HB ARG 55 2HB ARG 55 -17.809 24.879 8.487 914 1HG ARG 55 1HG ARG 55 -15.608 24.735 7.304 915 2HG ARG 55 2HG ARG 55 -15.938 26.337 6.640 916 1HD ARG 55 2HD ARG 55 -15.730 25.613 9.561 917 2HD ARG 55 1HD ARG 55 -14.538 26.507 8.619 918 HE ARG 55 HE ARG 55 -16.810 27.583 9.887 919 1HH1 ARG 55 1HH1 ARG 55 -14.997 27.833 6.920 920 2HH1 ARG 55 2HH1 ARG 55 -15.460 29.475 6.627 921 1HH2 ARG 55 1HH2 ARG 55 -17.420 29.742 9.509 922 2HH2 ARG 55 2HH2 ARG 55 -16.837 30.560 8.098 923 H LYS 56 H LYS 56 -19.947 25.840 5.128 924 HA LYS 56 HA LYS 56 -18.204 27.264 3.350 925 1HB LYS 56 2HB LYS 56 -18.953 26.302 1.270 926 2HB LYS 56 1HB LYS 56 -18.290 25.023 2.274 927 1HG LYS 56 2HG LYS 56 -21.233 25.607 2.043 928 2HG LYS 56 1HG LYS 56 -20.380 24.435 1.040 929 1HD LYS 56 2HD LYS 56 -20.325 24.312 4.043 930 2HD LYS 56 1HD LYS 56 -21.601 23.546 3.095 931 1HE LYS 56 2HE LYS 56 -19.872 21.935 3.630 932 2HE LYS 56 1HE LYS 56 -19.912 22.235 1.895 933 1HZ LYS 56 1HZ LYS 56 -17.651 22.151 2.901 934 2HZ LYS 56 2HZ LYS 56 -18.013 23.578 3.731 935 3HZ LYS 56 3HZ LYS 56 -17.980 23.569 2.041 936 H LEU 57 H LEU 57 -19.175 29.065 2.553 937 HA LEU 57 HA LEU 57 -22.017 29.306 2.326 938 1HB LEU 57 1HB LEU 57 -22.176 31.185 3.957 939 2HB LEU 57 2HB LEU 57 -21.913 29.609 4.672 940 HG LEU 57 HG LEU 57 -19.482 30.196 4.897 941 1HD1 LEU 57 1HD2 LEU 57 -20.496 32.727 3.717 942 2HD1 LEU 57 2HD2 LEU 57 -18.949 31.911 3.490 943 3HD1 LEU 57 3HD2 LEU 57 -19.256 32.827 4.967 944 1HD2 LEU 57 1HD1 LEU 57 -21.232 30.409 6.705 945 2HD2 LEU 57 2HD1 LEU 57 -21.285 32.131 6.325 946 3HD2 LEU 57 3HD1 LEU 57 -19.788 31.403 6.906 Start of MODEL 19 1 H SER 1 1HT SER 1 3.128 5.602 0.674 2 HA SER 1 HA SER 1 5.871 4.871 0.068 3 1HB SER 1 1HB SER 1 5.237 7.108 0.853 4 2HB SER 1 2HB SER 1 4.514 6.406 2.300 5 HG SER 1 HG SER 1 7.104 7.006 1.790 6 H GLU 2 H GLU 2 3.403 4.174 2.524 7 HA GLU 2 HA GLU 2 5.117 2.518 4.091 8 1HB GLU 2 1HB GLU 2 3.191 3.660 5.086 9 2HB GLU 2 2HB GLU 2 2.102 2.733 4.064 10 1HG GLU 2 1HG GLU 2 2.799 0.675 5.160 11 2HG GLU 2 2HG GLU 2 3.927 1.585 6.166 12 H ALA 3 H ALA 3 2.988 2.028 1.398 13 HA ALA 3 HA ALA 3 2.821 -0.826 1.637 14 1HB ALA 3 1HB ALA 3 2.290 0.880 -0.791 15 2HB ALA 3 2HB ALA 3 1.111 0.561 0.480 16 3HB ALA 3 3HB ALA 3 1.728 -0.766 -0.504 17 H LEU 4 H LEU 4 4.993 1.429 0.358 18 HA LEU 4 HA LEU 4 6.355 -0.324 -1.456 19 1HB LEU 4 2HB LEU 4 6.953 2.416 -0.344 20 2HB LEU 4 1HB LEU 4 7.924 1.631 -1.575 21 HG LEU 4 HG LEU 4 6.254 1.876 -3.214 22 1HD1 LEU 4 1HD2 LEU 4 3.958 2.803 -2.586 23 2HD1 LEU 4 2HD2 LEU 4 4.345 2.321 -0.934 24 3HD1 LEU 4 3HD2 LEU 4 4.276 1.109 -2.212 25 1HD2 LEU 4 1HD1 LEU 4 6.733 4.030 -3.368 26 2HD2 LEU 4 2HD1 LEU 4 7.026 4.114 -1.628 27 3HD2 LEU 4 3HD1 LEU 4 5.400 4.380 -2.265 28 H LYS 5 H LYS 5 6.911 1.117 1.704 29 HA LYS 5 HA LYS 5 9.405 -0.234 2.124 30 1HB LYS 5 1HB LYS 5 9.022 2.035 2.981 31 2HB LYS 5 2HB LYS 5 7.742 1.421 4.021 32 1HG LYS 5 1HG LYS 5 9.924 1.786 5.153 33 2HG LYS 5 2HG LYS 5 9.289 0.146 5.302 34 1HD LYS 5 2HD LYS 5 11.569 -0.129 4.804 35 2HD LYS 5 1HD LYS 5 10.721 -0.414 3.280 36 1HE LYS 5 1HE LYS 5 12.014 2.193 4.075 37 2HE LYS 5 2HE LYS 5 12.745 0.986 3.020 38 1HZ LYS 5 1HZ LYS 5 10.496 2.792 2.494 39 2HZ LYS 5 2HZ LYS 5 10.533 1.296 1.705 40 3HZ LYS 5 3HZ LYS 5 11.808 2.390 1.504 41 H ILE 6 H ILE 6 6.073 -0.837 2.819 42 HA ILE 6 HA ILE 6 6.207 -2.428 5.085 43 HB ILE 6 HB ILE 6 4.076 -1.735 4.060 44 1HG1 ILE 6 1HG1 ILE 6 4.414 -3.869 5.477 45 2HG1 ILE 6 2HG1 ILE 6 2.869 -3.632 4.676 46 1HG2 ILE 6 1HG2 ILE 6 3.246 -2.578 2.048 47 2HG2 ILE 6 2HG2 ILE 6 4.466 -3.851 1.971 48 3HG2 ILE 6 3HG2 ILE 6 4.928 -2.168 1.707 49 1HD1 ILE 6 1HD1 ILE 6 4.736 -5.085 3.017 50 2HD1 ILE 6 2HD1 ILE 6 3.111 -5.525 3.541 51 3HD1 ILE 6 3HD1 ILE 6 4.495 -5.873 4.576 52 H LEU 7 H LEU 7 6.455 -3.279 1.710 53 HA LEU 7 HA LEU 7 7.463 -5.920 2.400 54 1HB LEU 7 2HB LEU 7 6.393 -6.663 0.576 55 2HB LEU 7 1HB LEU 7 5.619 -5.092 0.522 56 HG LEU 7 HG LEU 7 7.798 -4.481 -0.883 57 1HD1 LEU 7 1HD1 LEU 7 9.067 -6.249 -1.335 58 2HD1 LEU 7 2HD1 LEU 7 7.750 -6.832 -2.358 59 3HD1 LEU 7 3HD1 LEU 7 7.865 -7.363 -0.679 60 1HD2 LEU 7 1HD2 LEU 7 5.234 -5.758 -1.737 61 2HD2 LEU 7 2HD2 LEU 7 6.442 -5.277 -2.929 62 3HD2 LEU 7 3HD2 LEU 7 5.738 -4.072 -1.850 63 H ASN 8 H ASN 8 8.449 -2.846 1.581 64 HA ASN 8 HA ASN 8 10.488 -1.934 1.081 65 1HB ASN 8 2HB ASN 8 11.581 -4.741 1.407 66 2HB ASN 8 1HB ASN 8 12.509 -3.244 1.442 67 1HD2 ASN 8 1HD2 ASN 8 11.200 -5.582 3.304 68 2HD2 ASN 8 2HD2 ASN 8 11.037 -4.714 4.800 69 H ASN 9 H ASN 9 8.715 -3.091 -0.950 70 HA ASN 9 HA ASN 9 8.631 -3.394 -3.195 71 1HB ASN 9 2HB ASN 9 11.478 -2.376 -3.085 72 2HB ASN 9 1HB ASN 9 10.517 -2.546 -4.551 73 1HD2 ASN 9 1HD2 ASN 9 8.390 -1.640 -2.189 74 2HD2 ASN 9 2HD2 ASN 9 8.433 0.068 -2.427 75 H ILE 10 H ILE 10 8.673 -5.212 -4.357 76 HA ILE 10 HA ILE 10 10.033 -7.506 -3.489 77 HB ILE 10 HB ILE 10 9.195 -8.641 -5.404 78 1HG1 ILE 10 2HG1 ILE 10 9.836 -7.034 -7.140 79 2HG1 ILE 10 1HG1 ILE 10 8.145 -7.488 -7.302 80 1HG2 ILE 10 1HG2 ILE 10 7.374 -8.507 -4.098 81 2HG2 ILE 10 2HG2 ILE 10 6.764 -7.498 -5.412 82 3HG2 ILE 10 3HG2 ILE 10 7.455 -6.747 -3.971 83 1HD1 ILE 10 1HD1 ILE 10 8.070 -5.236 -5.712 84 2HD1 ILE 10 2HD1 ILE 10 7.711 -5.327 -7.438 85 3HD1 ILE 10 3HD1 ILE 10 9.332 -4.892 -6.894 86 H ARG 11 H ARG 11 10.962 -5.030 -5.760 87 HA ARG 11 HA ARG 11 12.803 -6.299 -7.352 88 1HB ARG 11 2HB ARG 11 13.991 -4.109 -7.446 89 2HB ARG 11 1HB ARG 11 12.255 -3.984 -7.699 90 1HG ARG 11 1HG ARG 11 11.979 -3.275 -5.366 91 2HG ARG 11 2HG ARG 11 13.728 -3.365 -5.146 92 1HD ARG 11 1HD ARG 11 13.040 -1.074 -5.553 93 2HD ARG 11 2HD ARG 11 14.030 -1.671 -6.885 94 HE ARG 11 HE ARG 11 11.341 -2.104 -7.522 95 1HH1 ARG 11 1HH1 ARG 11 13.568 0.535 -7.056 96 2HH1 ARG 11 2HH1 ARG 11 12.738 1.597 -8.144 97 1HH2 ARG 11 1HH2 ARG 11 10.241 -0.713 -8.956 98 2HH2 ARG 11 2HH2 ARG 11 10.847 0.888 -9.224 99 H THR 12 H THR 12 13.424 -4.868 -4.152 100 HA THR 12 HA THR 12 16.102 -5.955 -4.077 101 HB THR 12 HB THR 12 14.508 -4.473 -1.976 102 HG1 THR 12 1HG THR 12 16.321 -2.906 -2.632 103 1HG2 THR 12 1HG2 THR 12 16.595 -4.233 -0.765 104 2HG2 THR 12 2HG2 THR 12 17.452 -5.150 -2.003 105 3HG2 THR 12 3HG2 THR 12 16.240 -5.943 -0.998 106 H LEU 13 H LEU 13 12.953 -6.667 -2.732 107 HA LEU 13 HA LEU 13 13.728 -8.477 -0.742 108 1HB LEU 13 2HB LEU 13 11.557 -7.852 -0.478 109 2HB LEU 13 1HB LEU 13 11.221 -7.880 -2.198 110 HG LEU 13 HG LEU 13 11.077 -10.309 -2.168 111 1HD1 LEU 13 1HD1 LEU 13 11.927 -9.988 0.687 112 2HD1 LEU 13 2HD1 LEU 13 12.623 -11.012 -0.574 113 3HD1 LEU 13 3HD1 LEU 13 11.056 -11.419 0.130 114 1HD2 LEU 13 1HD2 LEU 13 9.319 -8.546 -0.795 115 2HD2 LEU 13 2HD2 LEU 13 9.315 -10.110 0.020 116 3HD2 LEU 13 3HD2 LEU 13 8.942 -10.011 -1.702 117 H ARG 14 H ARG 14 12.325 -9.297 -3.925 118 HA ARG 14 HA ARG 14 12.541 -11.997 -3.803 119 1HB ARG 14 2HB ARG 14 12.430 -12.057 -6.174 120 2HB ARG 14 1HB ARG 14 11.530 -10.639 -5.659 121 1HG ARG 14 2HG ARG 14 12.707 -9.840 -7.463 122 2HG ARG 14 1HG ARG 14 13.751 -9.378 -6.115 123 1HD ARG 14 1HD ARG 14 14.940 -10.412 -8.064 124 2HD ARG 14 2HD ARG 14 15.213 -11.211 -6.515 125 HE ARG 14 HE ARG 14 13.048 -12.440 -7.811 126 1HH1 ARG 14 1HH1 ARG 14 16.502 -12.114 -8.126 127 2HH1 ARG 14 2HH1 ARG 14 16.704 -13.655 -8.890 128 1HH2 ARG 14 1HH2 ARG 14 13.301 -14.465 -8.796 129 2HH2 ARG 14 2HH2 ARG 14 14.880 -14.993 -9.273 130 H ALA 15 H ALA 15 15.109 -9.731 -4.111 131 HA ALA 15 HA ALA 15 17.072 -11.712 -4.911 132 1HB ALA 15 1HB ALA 15 18.610 -9.930 -5.032 133 2HB ALA 15 2HB ALA 15 17.590 -8.893 -4.035 134 3HB ALA 15 3HB ALA 15 17.086 -9.315 -5.672 135 H GLN 16 H GLN 16 16.479 -9.635 -2.073 136 HA GLN 16 HA GLN 16 18.610 -10.637 -0.521 137 1HB GLN 16 1HB GLN 16 17.641 -9.491 1.317 138 2HB GLN 16 2HB GLN 16 17.230 -8.527 -0.096 139 1HG GLN 16 2HG GLN 16 15.003 -9.537 -0.131 140 2HG GLN 16 1HG GLN 16 15.418 -10.496 1.285 141 1HE2 GLN 16 1HE2 GLN 16 13.542 -8.129 0.510 142 2HE2 GLN 16 2HE2 GLN 16 13.674 -7.083 1.887 143 H ALA 17 H ALA 17 15.327 -11.609 -0.981 144 HA ALA 17 HA ALA 17 15.429 -13.704 1.008 145 1HB ALA 17 1HB ALA 17 13.303 -12.952 1.026 146 2HB ALA 17 2HB ALA 17 13.113 -14.148 -0.259 147 3HB ALA 17 3HB ALA 17 13.354 -12.444 -0.662 148 H ARG 18 H ARG 18 16.063 -13.264 -2.321 149 HA ARG 18 HA ARG 18 15.445 -15.610 -3.555 150 1HB ARG 18 1HB ARG 18 16.653 -13.760 -4.650 151 2HB ARG 18 2HB ARG 18 18.103 -14.175 -3.746 152 1HG ARG 18 1HG ARG 18 18.251 -15.013 -6.005 153 2HG ARG 18 2HG ARG 18 18.161 -16.358 -4.864 154 1HD ARG 18 1HD ARG 18 15.771 -16.593 -5.337 155 2HD ARG 18 2HD ARG 18 15.866 -15.254 -6.481 156 HE ARG 18 HE ARG 18 16.481 -17.940 -7.020 157 1HH1 ARG 18 1HH1 ARG 18 17.706 -14.732 -7.628 158 2HH1 ARG 18 2HH1 ARG 18 18.489 -15.174 -9.109 159 1HH2 ARG 18 1HH2 ARG 18 17.510 -18.526 -8.968 160 2HH2 ARG 18 2HH2 ARG 18 18.377 -17.328 -9.870 161 H GLU 19 H GLU 19 17.817 -15.080 -1.070 162 HA GLU 19 HA GLU 19 18.808 -17.828 -1.309 163 1HB GLU 19 1HB GLU 19 20.498 -17.143 0.348 164 2HB GLU 19 2HB GLU 19 20.502 -16.106 -1.073 165 1HG GLU 19 1HG GLU 19 19.239 -14.414 0.151 166 2HG GLU 19 2HG GLU 19 19.226 -15.454 1.575 167 H SER 20 H SER 20 16.103 -17.451 -0.418 168 HA SER 20 HA SER 20 16.200 -19.033 1.966 169 1HB SER 20 2HB SER 20 15.083 -16.224 2.164 170 2HB SER 20 1HB SER 20 14.887 -17.476 3.389 171 HG SER 20 HG SER 20 16.930 -15.805 3.042 172 H THR 21 H THR 21 13.635 -18.659 2.911 173 HA THR 21 HA THR 21 12.079 -19.867 0.778 174 HB THR 21 HB THR 21 11.354 -19.416 3.683 175 HG1 THR 21 1HG THR 21 12.162 -21.405 4.038 176 1HG2 THR 21 1HG2 THR 21 9.852 -21.503 2.911 177 2HG2 THR 21 2HG2 THR 21 9.933 -20.626 1.383 178 3HG2 THR 21 3HG2 THR 21 9.291 -19.834 2.821 179 H LEU 22 H LEU 22 9.909 -19.168 0.252 180 HA LEU 22 HA LEU 22 9.707 -16.423 -0.239 181 1HB LEU 22 1HB LEU 22 7.980 -16.986 -1.544 182 2HB LEU 22 2HB LEU 22 8.443 -18.641 -1.193 183 HG LEU 22 HG LEU 22 6.399 -17.118 0.410 184 1HD1 LEU 22 1HD1 LEU 22 5.998 -18.987 -1.912 185 2HD1 LEU 22 2HD1 LEU 22 5.601 -17.267 -1.852 186 3HD1 LEU 22 3HD1 LEU 22 4.719 -18.414 -0.840 187 1HD2 LEU 22 1HD2 LEU 22 6.501 -20.075 0.214 188 2HD2 LEU 22 2HD2 LEU 22 5.945 -19.040 1.531 189 3HD2 LEU 22 3HD2 LEU 22 7.674 -19.256 1.247 190 H GLU 23 H GLU 23 9.121 -18.191 2.576 191 HA GLU 23 HA GLU 23 6.953 -17.215 3.821 192 1HB GLU 23 1HB GLU 23 8.146 -17.372 5.944 193 2HB GLU 23 2HB GLU 23 8.580 -18.709 4.889 194 1HG GLU 23 1HG GLU 23 10.661 -17.585 4.302 195 2HG GLU 23 2HG GLU 23 10.228 -16.236 5.352 196 H THR 24 H THR 24 9.704 -15.325 2.863 197 HA THR 24 HA THR 24 9.487 -13.111 4.517 198 HB THR 24 HB THR 24 10.090 -13.097 1.552 199 HG1 THR 24 1HG THR 24 12.258 -12.738 3.003 200 1HG2 THR 24 1HG2 THR 24 11.418 -11.001 2.354 201 2HG2 THR 24 2HG2 THR 24 10.270 -11.014 3.693 202 3HG2 THR 24 3HG2 THR 24 9.689 -10.866 2.034 203 H LEU 25 H LEU 25 7.548 -14.066 1.738 204 HA LEU 25 HA LEU 25 6.041 -11.661 1.674 205 1HB LEU 25 2HB LEU 25 4.435 -13.028 0.249 206 2HB LEU 25 1HB LEU 25 6.034 -12.718 -0.376 207 HG LEU 25 HG LEU 25 6.689 -15.036 0.251 208 1HD1 LEU 25 1HD2 LEU 25 4.185 -14.978 1.627 209 2HD1 LEU 25 2HD2 LEU 25 5.429 -16.236 1.618 210 3HD1 LEU 25 3HD2 LEU 25 4.152 -16.246 0.400 211 1HD2 LEU 25 1HD1 LEU 25 4.828 -14.186 -1.793 212 2HD2 LEU 25 2HD1 LEU 25 4.665 -15.901 -1.417 213 3HD2 LEU 25 3HD1 LEU 25 6.229 -15.251 -1.907 214 H GLU 26 H GLU 26 5.452 -14.895 3.092 215 HA GLU 26 HA GLU 26 2.849 -14.272 3.949 216 1HB GLU 26 1HB GLU 26 3.015 -16.109 5.515 217 2HB GLU 26 2HB GLU 26 3.736 -16.584 3.988 218 1HG GLU 26 1HG GLU 26 5.100 -17.441 5.707 219 2HG GLU 26 2HG GLU 26 5.969 -16.095 4.981 220 H GLU 27 H GLU 27 5.935 -13.228 4.882 221 HA GLU 27 HA GLU 27 5.136 -12.257 7.495 222 1HB GLU 27 2HB GLU 27 7.423 -13.000 7.214 223 2HB GLU 27 1HB GLU 27 7.660 -11.888 5.874 224 1HG GLU 27 2HG GLU 27 8.727 -11.024 7.844 225 2HG GLU 27 1HG GLU 27 7.362 -9.998 7.410 226 H MET 28 H MET 28 6.257 -10.761 4.458 227 HA MET 28 HA MET 28 5.228 -8.182 5.282 228 1HB MET 28 2HB MET 28 6.636 -8.960 2.728 229 2HB MET 28 1HB MET 28 6.317 -7.323 3.282 230 1HG MET 28 1HG MET 28 8.102 -9.329 4.637 231 2HG MET 28 2HG MET 28 8.629 -7.960 3.659 232 1HE MET 28 1HE MET 28 9.602 -8.185 7.117 233 2HE MET 28 2HE MET 28 9.894 -6.489 6.730 234 3HE MET 28 3HE MET 28 10.163 -7.732 5.508 235 H LEU 29 H LEU 29 4.732 -10.459 2.612 236 HA LEU 29 HA LEU 29 2.762 -9.002 1.229 237 1HB LEU 29 2HB LEU 29 3.879 -10.752 0.119 238 2HB LEU 29 1HB LEU 29 3.460 -11.931 1.336 239 HG LEU 29 HG LEU 29 1.082 -11.791 0.573 240 1HD1 LEU 29 1HD2 LEU 29 0.372 -10.337 -0.964 241 2HD1 LEU 29 2HD2 LEU 29 1.800 -10.565 -1.973 242 3HD1 LEU 29 3HD2 LEU 29 1.855 -9.450 -0.606 243 1HD2 LEU 29 1HD1 LEU 29 1.856 -12.621 -1.893 244 2HD2 LEU 29 2HD1 LEU 29 1.928 -13.616 -0.438 245 3HD2 LEU 29 3HD1 LEU 29 3.367 -12.764 -0.996 246 H GLU 30 H GLU 30 2.566 -10.801 4.155 247 HA GLU 30 HA GLU 30 -0.298 -11.161 4.068 248 1HB GLU 30 1HB GLU 30 0.992 -12.753 5.341 249 2HB GLU 30 2HB GLU 30 1.712 -11.469 6.302 250 1HG GLU 30 1HG GLU 30 -0.458 -10.965 7.280 251 2HG GLU 30 2HG GLU 30 -1.200 -12.227 6.300 252 H LYS 31 H LYS 31 1.982 -8.825 5.293 253 HA LYS 31 HA LYS 31 -0.050 -7.367 6.779 254 1HB LYS 31 2HB LYS 31 2.729 -6.371 6.233 255 2HB LYS 31 1HB LYS 31 1.695 -6.055 7.623 256 1HG LYS 31 2HG LYS 31 3.021 -8.665 6.948 257 2HG LYS 31 1HG LYS 31 3.518 -7.541 8.216 258 1HD LYS 31 1HD LYS 31 1.488 -7.931 9.436 259 2HD LYS 31 2HD LYS 31 0.814 -8.875 8.104 260 1HE LYS 31 2HE LYS 31 2.506 -10.580 8.414 261 2HE LYS 31 1HE LYS 31 3.267 -9.628 9.691 262 1HZ LYS 31 1HZ LYS 31 0.603 -10.929 9.751 263 2HZ LYS 31 2HZ LYS 31 1.108 -9.803 10.909 264 3HZ LYS 31 3HZ LYS 31 1.941 -11.263 10.732 265 H LEU 32 H LEU 32 1.591 -7.324 3.763 266 HA LEU 32 HA LEU 32 0.956 -4.671 2.988 267 1HB LEU 32 2HB LEU 32 2.752 -5.956 1.959 268 2HB LEU 32 1HB LEU 32 1.583 -7.102 1.330 269 HG LEU 32 HG LEU 32 0.653 -5.419 -0.140 270 1HD1 LEU 32 1HD2 LEU 32 1.998 -3.610 1.699 271 2HD1 LEU 32 2HD2 LEU 32 0.619 -3.333 0.636 272 3HD1 LEU 32 3HD2 LEU 32 2.260 -3.199 0.004 273 1HD2 LEU 32 1HD1 LEU 32 2.637 -4.869 -1.495 274 2HD2 LEU 32 2HD1 LEU 32 2.596 -6.553 -0.984 275 3HD2 LEU 32 3HD1 LEU 32 3.662 -5.410 -0.168 276 H GLU 33 H GLU 33 -0.751 -7.673 3.079 277 HA GLU 33 HA GLU 33 -2.819 -6.739 1.261 278 1HB GLU 33 2HB GLU 33 -3.925 -8.846 1.628 279 2HB GLU 33 1HB GLU 33 -2.217 -9.155 1.348 280 1HG GLU 33 1HG GLU 33 -1.840 -9.549 3.677 281 2HG GLU 33 2HG GLU 33 -3.476 -9.031 4.079 282 H VAL 34 H VAL 34 -2.219 -7.062 4.706 283 HA VAL 34 HA VAL 34 -4.887 -6.402 5.480 284 HB VAL 34 HB VAL 34 -4.091 -6.148 7.725 285 1HG1 VAL 34 1HG1 VAL 34 -4.060 -8.453 6.387 286 2HG1 VAL 34 2HG1 VAL 34 -3.653 -8.333 8.098 287 3HG1 VAL 34 3HG1 VAL 34 -2.371 -8.399 6.890 288 1HG2 VAL 34 1HG2 VAL 34 -2.052 -5.494 8.319 289 2HG2 VAL 34 2HG2 VAL 34 -1.769 -5.175 6.608 290 3HG2 VAL 34 3HG2 VAL 34 -1.279 -6.716 7.311 291 H VAL 35 H VAL 35 -1.919 -4.552 4.878 292 HA VAL 35 HA VAL 35 -2.758 -2.086 5.924 293 HB VAL 35 HB VAL 35 -1.329 -0.979 4.208 294 1HG1 VAL 35 1HG2 VAL 35 -0.434 -2.834 6.194 295 2HG1 VAL 35 2HG2 VAL 35 0.253 -1.284 5.699 296 3HG1 VAL 35 3HG2 VAL 35 0.707 -2.761 4.847 297 1HG2 VAL 35 1HG1 VAL 35 -1.704 -2.472 2.348 298 2HG2 VAL 35 2HG1 VAL 35 -0.864 -3.769 3.197 299 3HG2 VAL 35 3HG1 VAL 35 0.021 -2.332 2.690 300 H VAL 36 H VAL 36 -3.130 -3.507 2.713 301 HA VAL 36 HA VAL 36 -4.897 -1.398 1.880 302 HB VAL 36 HB VAL 36 -3.343 -2.514 0.297 303 1HG1 VAL 36 1HG1 VAL 36 -4.831 -4.661 -0.607 304 2HG1 VAL 36 2HG1 VAL 36 -4.760 -4.850 1.145 305 3HG1 VAL 36 3HG1 VAL 36 -3.270 -4.714 0.212 306 1HG2 VAL 36 1HG2 VAL 36 -5.511 -2.927 -1.329 307 2HG2 VAL 36 2HG2 VAL 36 -4.695 -1.390 -1.033 308 3HG2 VAL 36 3HG2 VAL 36 -6.117 -1.829 -0.085 309 H ASN 37 H ASN 37 -5.225 -4.397 3.491 310 HA ASN 37 HA ASN 37 -7.783 -5.173 2.612 311 1HB ASN 37 1HB ASN 37 -6.450 -6.656 4.010 312 2HB ASN 37 2HB ASN 37 -6.478 -5.486 5.329 313 1HD2 ASN 37 2HD2 ASN 37 -7.740 -6.092 6.895 314 2HD2 ASN 37 1HD2 ASN 37 -9.261 -6.914 6.735 315 H GLU 38 H GLU 38 -6.706 -2.917 5.083 316 HA GLU 38 HA GLU 38 -9.358 -2.212 5.922 317 1HB GLU 38 2HB GLU 38 -6.735 -0.754 6.313 318 2HB GLU 38 1HB GLU 38 -8.242 -0.377 7.136 319 1HG GLU 38 1HG GLU 38 -8.215 -2.574 8.199 320 2HG GLU 38 2HG GLU 38 -6.706 -2.955 7.372 321 H ARG 39 H ARG 39 -6.911 -0.866 3.782 322 HA ARG 39 HA ARG 39 -8.335 1.477 3.045 323 1HB ARG 39 1HB ARG 39 -5.986 -0.014 1.942 324 2HB ARG 39 2HB ARG 39 -6.715 1.277 1.005 325 1HG ARG 39 1HG ARG 39 -4.818 2.089 2.253 326 2HG ARG 39 2HG ARG 39 -6.306 2.837 2.826 327 1HD ARG 39 1HD ARG 39 -6.333 1.002 4.600 328 2HD ARG 39 2HD ARG 39 -4.657 0.708 4.130 329 HE ARG 39 HE ARG 39 -4.101 2.481 5.428 330 1HH1 ARG 39 1HH1 ARG 39 -7.334 3.010 4.227 331 2HH1 ARG 39 2HH1 ARG 39 -7.523 4.531 5.036 332 1HH2 ARG 39 1HH2 ARG 39 -4.349 4.479 6.498 333 2HH2 ARG 39 2HH2 ARG 39 -5.828 5.364 6.326 334 H ARG 40 H ARG 40 -8.259 -1.772 1.848 335 HA ARG 40 HA ARG 40 -9.455 -1.357 -0.665 336 1HB ARG 40 1HB ARG 40 -8.784 -3.651 1.046 337 2HB ARG 40 2HB ARG 40 -10.195 -3.926 0.032 338 1HG ARG 40 2HG ARG 40 -7.422 -3.160 -0.881 339 2HG ARG 40 1HG ARG 40 -8.200 -4.739 -1.066 340 1HD ARG 40 2HD ARG 40 -9.073 -2.140 -2.335 341 2HD ARG 40 1HD ARG 40 -8.288 -3.492 -3.151 342 HE ARG 40 HE ARG 40 -10.609 -4.451 -1.937 343 1HH1 ARG 40 1HH1 ARG 40 -9.685 -2.259 -4.483 344 2HH1 ARG 40 2HH1 ARG 40 -11.126 -2.519 -5.407 345 1HH2 ARG 40 1HH2 ARG 40 -12.511 -4.801 -3.147 346 2HH2 ARG 40 2HH2 ARG 40 -12.733 -3.963 -4.647 347 H GLU 41 H GLU 41 -10.778 -2.183 2.505 348 HA GLU 41 HA GLU 41 -13.501 -2.087 1.512 349 1HB GLU 41 2HB GLU 41 -12.438 -2.439 4.318 350 2HB GLU 41 1HB GLU 41 -14.123 -2.602 3.843 351 1HG GLU 41 2HG GLU 41 -13.536 -4.479 2.397 352 2HG GLU 41 1HG GLU 41 -11.846 -4.316 2.872 353 H GLU 42 H GLU 42 -11.288 0.044 3.175 354 HA GLU 42 HA GLU 42 -13.355 1.844 4.078 355 1HB GLU 42 2HB GLU 42 -11.270 1.540 5.360 356 2HB GLU 42 1HB GLU 42 -10.360 2.228 4.022 357 1HG GLU 42 1HG GLU 42 -10.697 3.868 5.767 358 2HG GLU 42 2HG GLU 42 -11.545 4.343 4.295 359 H GLU 43 H GLU 43 -10.979 1.768 1.479 360 HA GLU 43 HA GLU 43 -11.345 4.374 0.530 361 1HB GLU 43 2HB GLU 43 -10.296 1.847 -0.612 362 2HB GLU 43 1HB GLU 43 -10.739 3.114 -1.749 363 1HG GLU 43 1HG GLU 43 -8.796 3.415 0.531 364 2HG GLU 43 2HG GLU 43 -8.373 3.171 -1.160 365 H SER 44 H SER 44 -12.908 1.332 -0.413 366 HA SER 44 HA SER 44 -14.599 2.371 -2.382 367 1HB SER 44 2HB SER 44 -15.969 0.381 -2.022 368 2HB SER 44 1HB SER 44 -14.263 -0.059 -1.925 369 HG SER 44 HG SER 44 -16.138 0.220 0.166 370 H ALA 45 H ALA 45 -14.716 2.336 1.072 371 HA ALA 45 HA ALA 45 -17.385 3.282 1.403 372 1HB ALA 45 1HB ALA 45 -16.174 3.964 3.710 373 2HB ALA 45 2HB ALA 45 -15.031 2.757 3.109 374 3HB ALA 45 3HB ALA 45 -16.729 2.329 3.350 375 H ALA 46 H ALA 46 -14.190 4.772 1.243 376 HA ALA 46 HA ALA 46 -14.929 7.396 1.939 377 1HB ALA 46 1HB ALA 46 -12.648 6.474 0.184 378 2HB ALA 46 2HB ALA 46 -12.606 6.618 1.942 379 3HB ALA 46 3HB ALA 46 -12.796 8.060 0.944 380 H ALA 47 H ALA 47 -14.807 5.697 -1.147 381 HA ALA 47 HA ALA 47 -15.288 7.914 -2.815 382 1HB ALA 47 1HB ALA 47 -15.714 6.348 -4.547 383 2HB ALA 47 2HB ALA 47 -16.127 5.082 -3.392 384 3HB ALA 47 3HB ALA 47 -14.461 5.646 -3.524 385 H ALA 48 H ALA 48 -17.465 5.658 -1.187 386 HA ALA 48 HA ALA 48 -19.832 6.758 -2.385 387 1HB ALA 48 1HB ALA 48 -19.168 4.516 -0.717 388 2HB ALA 48 2HB ALA 48 -20.587 4.777 -1.733 389 3HB ALA 48 3HB ALA 48 -20.572 5.368 -0.071 390 H GLU 49 H GLU 49 -18.208 7.080 0.732 391 HA GLU 49 HA GLU 49 -20.180 8.639 2.001 392 1HB GLU 49 1HB GLU 49 -18.448 7.461 3.246 393 2HB GLU 49 2HB GLU 49 -17.209 8.472 2.520 394 1HG GLU 49 2HG GLU 49 -17.651 9.210 4.761 395 2HG GLU 49 1HG GLU 49 -18.191 10.436 3.616 396 H VAL 50 H VAL 50 -17.265 9.573 0.191 397 HA VAL 50 HA VAL 50 -17.317 12.298 0.702 398 HB VAL 50 HB VAL 50 -15.443 11.214 -0.432 399 1HG1 VAL 50 1HG1 VAL 50 -16.869 9.752 -1.888 400 2HG1 VAL 50 2HG1 VAL 50 -15.510 10.523 -2.705 401 3HG1 VAL 50 3HG1 VAL 50 -17.140 11.159 -2.918 402 1HG2 VAL 50 1HG2 VAL 50 -16.712 13.677 -1.338 403 2HG2 VAL 50 2HG2 VAL 50 -15.595 12.990 -2.518 404 3HG2 VAL 50 3HG2 VAL 50 -15.037 13.362 -0.885 405 H GLU 51 H GLU 51 -18.959 10.520 -1.907 406 HA GLU 51 HA GLU 51 -20.991 12.577 -2.040 407 1HB GLU 51 2HB GLU 51 -19.219 11.971 -4.414 408 2HB GLU 51 1HB GLU 51 -20.741 12.844 -4.519 409 1HG GLU 51 2HG GLU 51 -18.360 13.728 -2.907 410 2HG GLU 51 1HG GLU 51 -18.763 14.310 -4.521 411 H GLU 52 H GLU 52 -22.927 11.711 -2.507 412 HA GLU 52 HA GLU 52 -23.089 8.874 -3.006 413 1HB GLU 52 2HB GLU 52 -25.270 10.951 -2.713 414 2HB GLU 52 1HB GLU 52 -25.525 9.213 -2.782 415 1HG GLU 52 1HG GLU 52 -24.244 8.941 -0.721 416 2HG GLU 52 2HG GLU 52 -23.987 10.684 -0.653 417 H ARG 53 H ARG 53 -23.968 11.857 -4.681 418 HA ARG 53 HA ARG 53 -23.477 10.828 -7.252 419 1HB ARG 53 1HB ARG 53 -25.525 9.540 -6.853 420 2HB ARG 53 2HB ARG 53 -26.396 11.019 -6.481 421 1HG ARG 53 2HG ARG 53 -26.976 10.369 -8.688 422 2HG ARG 53 1HG ARG 53 -25.941 11.791 -8.806 423 1HD ARG 53 1HD ARG 53 -24.957 8.959 -9.109 424 2HD ARG 53 2HD ARG 53 -25.429 9.989 -10.459 425 HE ARG 53 HE ARG 53 -23.526 11.358 -8.941 426 1HH1 ARG 53 1HH1 ARG 53 -23.762 8.533 -10.965 427 2HH1 ARG 53 2HH1 ARG 53 -22.111 8.610 -11.485 428 1HH2 ARG 53 1HH2 ARG 53 -21.352 11.468 -9.620 429 2HH2 ARG 53 2HH2 ARG 53 -20.742 10.277 -10.721 430 H THR 54 H THR 54 -25.483 13.088 -5.399 431 HA THR 54 HA THR 54 -25.190 15.147 -7.427 432 HB THR 54 HB THR 54 -27.344 15.006 -6.345 433 HG1 THR 54 1HG THR 54 -26.480 17.304 -5.084 434 1HG2 THR 54 1HG2 THR 54 -27.636 15.430 -3.958 435 2HG2 THR 54 2HG2 THR 54 -25.889 15.555 -3.754 436 3HG2 THR 54 3HG2 THR 54 -26.615 14.017 -4.219 437 H ARG 55 H ARG 55 -23.803 16.812 -7.367 438 HA ARG 55 HA ARG 55 -21.644 16.782 -5.518 439 1HB ARG 55 2HB ARG 55 -20.778 18.676 -6.712 440 2HB ARG 55 1HB ARG 55 -21.449 17.551 -7.883 441 1HG ARG 55 1HG ARG 55 -22.899 19.985 -6.868 442 2HG ARG 55 2HG ARG 55 -21.936 19.946 -8.344 443 1HD ARG 55 2HD ARG 55 -24.352 18.238 -7.769 444 2HD ARG 55 1HD ARG 55 -24.319 19.658 -8.812 445 HE ARG 55 HE ARG 55 -22.383 17.833 -9.701 446 1HH1 ARG 55 1HH1 ARG 55 -25.844 18.184 -9.511 447 2HH1 ARG 55 2HH1 ARG 55 -26.149 17.199 -10.902 448 1HH2 ARG 55 1HH2 ARG 55 -22.776 16.533 -11.533 449 2HH2 ARG 55 2HH2 ARG 55 -24.406 16.261 -12.052 450 H LYS 56 H LYS 56 -21.242 18.005 -3.744 451 HA LYS 56 HA LYS 56 -23.399 19.161 -2.349 452 1HB LYS 56 2HB LYS 56 -20.421 19.440 -1.903 453 2HB LYS 56 1HB LYS 56 -21.653 19.975 -0.769 454 1HG LYS 56 1HG LYS 56 -22.431 17.678 -0.514 455 2HG LYS 56 2HG LYS 56 -21.213 17.136 -1.672 456 1HD LYS 56 1HD LYS 56 -20.473 16.742 0.618 457 2HD LYS 56 2HD LYS 56 -19.441 17.931 -0.182 458 1HE LYS 56 2HE LYS 56 -20.677 19.736 0.928 459 2HE LYS 56 1HE LYS 56 -21.688 18.539 1.737 460 1HZ LYS 56 1HZ LYS 56 -18.742 18.725 2.047 461 2HZ LYS 56 2HZ LYS 56 -19.787 17.709 2.905 462 3HZ LYS 56 3HZ LYS 56 -19.861 19.384 3.132 463 H LEU 57 H LEU 57 -20.667 20.623 -4.082 464 HA LEU 57 HA LEU 57 -21.304 23.303 -3.532 465 1HB LEU 57 2HB LEU 57 -19.127 22.569 -4.394 466 2HB LEU 57 1HB LEU 57 -19.873 22.136 -5.921 467 HG LEU 57 HG LEU 57 -20.426 24.499 -6.322 468 1HD1 LEU 57 1HD2 LEU 57 -19.517 26.238 -4.879 469 2HD1 LEU 57 2HD2 LEU 57 -18.902 25.012 -3.771 470 3HD1 LEU 57 3HD2 LEU 57 -20.641 25.209 -3.991 471 1HD2 LEU 57 1HD1 LEU 57 -17.518 24.396 -5.627 472 2HD2 LEU 57 2HD1 LEU 57 -18.307 25.130 -7.022 473 3HD2 LEU 57 3HD1 LEU 57 -18.174 23.376 -6.906 474 H SER 1 1HT SER 1 -12.061 -7.312 0.637 475 HA SER 1 HA SER 1 -11.581 -10.017 0.159 476 1HB SER 1 2HB SER 1 -13.014 -7.879 -1.443 477 2HB SER 1 1HB SER 1 -13.237 -9.617 -1.639 478 HG SER 1 HG SER 1 -14.807 -9.119 -0.259 479 H GLU 2 H GLU 2 -10.641 -7.147 -1.709 480 HA GLU 2 HA GLU 2 -9.492 -8.668 -3.843 481 1HB GLU 2 1HB GLU 2 -10.389 -6.418 -4.223 482 2HB GLU 2 2HB GLU 2 -9.185 -5.745 -3.133 483 1HG GLU 2 2HG GLU 2 -7.408 -6.458 -4.639 484 2HG GLU 2 1HG GLU 2 -8.606 -7.156 -5.728 485 H ALA 3 H ALA 3 -8.350 -7.223 -0.884 486 HA ALA 3 HA ALA 3 -5.553 -7.470 -1.462 487 1HB ALA 3 1HB ALA 3 -6.885 -7.202 1.230 488 2HB ALA 3 2HB ALA 3 -6.517 -5.843 0.167 489 3HB ALA 3 3HB ALA 3 -5.210 -6.828 0.824 490 H LEU 4 H LEU 4 -8.021 -9.442 -0.235 491 HA LEU 4 HA LEU 4 -6.348 -11.396 1.034 492 1HB LEU 4 2HB LEU 4 -9.280 -11.282 0.337 493 2HB LEU 4 1HB LEU 4 -8.548 -12.582 1.259 494 HG LEU 4 HG LEU 4 -8.271 -11.252 3.155 495 1HD1 LEU 4 1HD2 LEU 4 -8.524 -8.762 3.130 496 2HD1 LEU 4 2HD2 LEU 4 -8.524 -8.835 1.369 497 3HD1 LEU 4 3HD2 LEU 4 -7.105 -9.364 2.275 498 1HD2 LEU 4 1HD1 LEU 4 -10.439 -11.148 3.571 499 2HD2 LEU 4 2HD1 LEU 4 -10.765 -11.221 1.837 500 3HD2 LEU 4 3HD1 LEU 4 -10.562 -9.658 2.632 501 H LYS 5 H LYS 5 -8.289 -11.120 -1.893 502 HA LYS 5 HA LYS 5 -7.540 -13.721 -2.859 503 1HB LYS 5 2HB LYS 5 -9.788 -12.806 -3.271 504 2HB LYS 5 1HB LYS 5 -9.079 -11.508 -4.223 505 1HG LYS 5 2HG LYS 5 -10.030 -13.358 -5.575 506 2HG LYS 5 1HG LYS 5 -8.317 -13.049 -5.885 507 1HD LYS 5 2HD LYS 5 -7.711 -14.900 -4.420 508 2HD LYS 5 1HD LYS 5 -9.417 -15.205 -4.085 509 1HE LYS 5 2HE LYS 5 -8.562 -16.762 -5.759 510 2HE LYS 5 1HE LYS 5 -9.800 -15.708 -6.444 511 1HZ LYS 5 1HZ LYS 5 -8.073 -14.356 -7.430 512 2HZ LYS 5 2HZ LYS 5 -7.903 -15.964 -7.927 513 3HZ LYS 5 3HZ LYS 5 -6.870 -15.332 -6.747 514 H ILE 6 H ILE 6 -6.390 -10.469 -3.228 515 HA ILE 6 HA ILE 6 -5.178 -10.542 -5.720 516 HB ILE 6 HB ILE 6 -5.266 -8.514 -4.314 517 1HG1 ILE 6 1HG1 ILE 6 -2.525 -9.457 -5.176 518 2HG1 ILE 6 2HG1 ILE 6 -3.654 -8.454 -6.087 519 1HG2 ILE 6 1HG2 ILE 6 -4.660 -9.878 -2.218 520 2HG2 ILE 6 2HG2 ILE 6 -4.070 -8.223 -2.353 521 3HG2 ILE 6 3HG2 ILE 6 -2.989 -9.574 -2.691 522 1HD1 ILE 6 1HD1 ILE 6 -3.324 -6.898 -3.953 523 2HD1 ILE 6 2HD1 ILE 6 -2.275 -6.826 -5.370 524 3HD1 ILE 6 3HD1 ILE 6 -1.768 -7.731 -3.939 525 H LEU 7 H LEU 7 -4.017 -11.554 -2.573 526 HA LEU 7 HA LEU 7 -1.743 -12.886 -3.825 527 1HB LEU 7 2HB LEU 7 -0.522 -12.218 -2.074 528 2HB LEU 7 1HB LEU 7 -1.875 -11.184 -1.660 529 HG LEU 7 HG LEU 7 -2.675 -13.381 -0.384 530 1HD1 LEU 7 1HD1 LEU 7 -0.208 -13.981 0.668 531 2HD1 LEU 7 2HD1 LEU 7 0.113 -13.873 -1.065 532 3HD1 LEU 7 3HD1 LEU 7 -1.121 -14.983 -0.466 533 1HD2 LEU 7 1HD2 LEU 7 -0.770 -11.237 0.482 534 2HD2 LEU 7 2HD2 LEU 7 -1.368 -12.451 1.612 535 3HD2 LEU 7 3HD2 LEU 7 -2.501 -11.376 0.791 536 H ASN 8 H ASN 8 -4.794 -13.387 -2.563 537 HA ASN 8 HA ASN 8 -6.018 -15.258 -2.113 538 1HB ASN 8 1HB ASN 8 -3.599 -16.779 -3.121 539 2HB ASN 8 2HB ASN 8 -5.219 -17.435 -2.904 540 1HD2 ASN 8 2HD2 ASN 8 -6.333 -17.613 -4.690 541 2HD2 ASN 8 1HD2 ASN 8 -6.188 -16.602 -6.097 542 H ASN 9 H ASN 9 -4.331 -14.028 -0.143 543 HA ASN 9 HA ASN 9 -3.684 -14.293 2.008 544 1HB ASN 9 2HB ASN 9 -5.117 -16.943 1.747 545 2HB ASN 9 1HB ASN 9 -4.601 -16.211 3.264 546 1HD2 ASN 9 1HD2 ASN 9 -5.494 -13.692 1.336 547 2HD2 ASN 9 2HD2 ASN 9 -7.143 -13.541 1.822 548 H ILE 10 H ILE 10 -1.721 -14.670 2.764 549 HA ILE 10 HA ILE 10 0.213 -16.134 1.423 550 HB ILE 10 HB ILE 10 1.628 -15.913 3.404 551 1HG1 ILE 10 1HG1 ILE 10 -0.166 -16.313 5.097 552 2HG1 ILE 10 2HG1 ILE 10 0.841 -14.916 5.454 553 1HG2 ILE 10 1HG2 ILE 10 0.160 -13.667 2.194 554 2HG2 ILE 10 2HG2 ILE 10 1.892 -14.005 2.254 555 3HG2 ILE 10 3HG2 ILE 10 1.083 -13.296 3.654 556 1HD1 ILE 10 1HD1 ILE 10 -0.927 -13.458 4.531 557 2HD1 ILE 10 2HD1 ILE 10 -1.437 -14.390 5.939 558 3HD1 ILE 10 3HD1 ILE 10 -1.942 -14.885 4.323 559 H ARG 11 H ARG 11 -2.029 -17.192 3.890 560 HA ARG 11 HA ARG 11 -0.764 -19.490 4.797 561 1HB ARG 11 2HB ARG 11 -3.077 -20.353 5.227 562 2HB ARG 11 1HB ARG 11 -2.772 -18.741 5.860 563 1HG ARG 11 2HG ARG 11 -3.930 -17.777 3.921 564 2HG ARG 11 1HG ARG 11 -4.267 -19.406 3.331 565 1HD ARG 11 1HD ARG 11 -5.552 -19.888 5.341 566 2HD ARG 11 2HD ARG 11 -5.182 -18.285 5.978 567 HE ARG 11 HE ARG 11 -6.403 -17.984 3.479 568 1HH1 ARG 11 1HH1 ARG 11 -7.176 -19.081 6.695 569 2HH1 ARG 11 2HH1 ARG 11 -8.848 -18.639 6.582 570 1HH2 ARG 11 1HH2 ARG 11 -8.601 -17.400 3.324 571 2HH2 ARG 11 2HH2 ARG 11 -9.658 -17.684 4.667 572 H THR 12 H THR 12 -2.991 -19.165 2.037 573 HA THR 12 HA THR 12 -2.615 -21.877 1.191 574 HB THR 12 HB THR 12 -3.836 -19.525 -0.267 575 HG1 THR 12 1HG THR 12 -5.647 -21.307 0.386 576 1HG2 THR 12 1HG2 THR 12 -4.817 -21.169 -1.768 577 2HG2 THR 12 2HG2 THR 12 -4.000 -22.471 -0.904 578 3HG2 THR 12 3HG2 THR 12 -3.058 -21.284 -1.804 579 H LEU 13 H LEU 13 -1.256 -18.758 0.374 580 HA LEU 13 HA LEU 13 0.036 -19.437 -2.010 581 1HB LEU 13 1HB LEU 13 -0.147 -17.159 -1.538 582 2HB LEU 13 2HB LEU 13 0.540 -17.341 0.065 583 HG LEU 13 HG LEU 13 2.739 -17.636 -0.815 584 1HD1 LEU 13 1HD2 LEU 13 2.399 -19.035 -2.679 585 2HD1 LEU 13 2HD2 LEU 13 3.108 -17.542 -3.307 586 3HD1 LEU 13 3HD2 LEU 13 1.378 -17.839 -3.485 587 1HD2 LEU 13 1HD1 LEU 13 2.833 -15.433 -0.910 588 2HD2 LEU 13 2HD1 LEU 13 1.151 -15.331 -1.431 589 3HD2 LEU 13 3HD1 LEU 13 2.432 -15.535 -2.625 590 H ARG 14 H ARG 14 1.517 -19.143 1.228 591 HA ARG 14 HA ARG 14 4.042 -19.957 0.692 592 1HB ARG 14 2HB ARG 14 3.346 -19.199 2.876 593 2HB ARG 14 1HB ARG 14 2.333 -20.618 3.087 594 1HG ARG 14 2HG ARG 14 4.317 -22.036 3.112 595 2HG ARG 14 1HG ARG 14 5.334 -20.607 2.904 596 1HD ARG 14 1HD ARG 14 4.526 -19.697 4.997 597 2HD ARG 14 2HD ARG 14 3.434 -21.066 5.193 598 HE ARG 14 HE ARG 14 5.175 -22.172 6.146 599 1HH1 ARG 14 1HH1 ARG 14 6.488 -19.846 3.904 600 2HH1 ARG 14 2HH1 ARG 14 8.135 -20.262 4.239 601 1HH2 ARG 14 1HH2 ARG 14 7.341 -22.722 6.591 602 2HH2 ARG 14 2HH2 ARG 14 8.619 -21.896 5.766 603 H ALA 15 H ALA 15 1.193 -21.913 0.703 604 HA ALA 15 HA ALA 15 2.655 -24.420 0.739 605 1HB ALA 15 1HB ALA 15 0.555 -25.484 0.780 606 2HB ALA 15 2HB ALA 15 -0.265 -24.039 0.189 607 3HB ALA 15 3HB ALA 15 0.409 -24.066 1.819 608 H GLN 16 H GLN 16 0.525 -22.708 -1.545 609 HA GLN 16 HA GLN 16 0.860 -24.538 -3.668 610 1HB GLN 16 1HB GLN 16 0.036 -22.637 -5.100 611 2HB GLN 16 2HB GLN 16 -0.998 -23.022 -3.728 612 1HG GLN 16 1HG GLN 16 0.004 -21.169 -2.474 613 2HG GLN 16 2HG GLN 16 0.991 -20.769 -3.878 614 1HE2 GLN 16 1HE2 GLN 16 0.241 -18.873 -4.527 615 2HE2 GLN 16 2HE2 GLN 16 -1.418 -18.523 -4.904 616 H ALA 17 H ALA 17 2.603 -21.741 -2.632 617 HA ALA 17 HA ALA 17 4.385 -21.742 -4.913 618 1HB ALA 17 1HB ALA 17 4.207 -19.577 -4.341 619 2HB ALA 17 2HB ALA 17 5.494 -19.984 -3.204 620 3HB ALA 17 3HB ALA 17 3.813 -19.946 -2.660 621 H ARG 18 H ARG 18 4.176 -23.097 -1.782 622 HA ARG 18 HA ARG 18 6.718 -23.294 -0.833 623 1HB ARG 18 1HB ARG 18 4.747 -24.368 0.217 624 2HB ARG 18 2HB ARG 18 4.779 -25.610 -1.027 625 1HG ARG 18 1HG ARG 18 5.781 -26.426 1.019 626 2HG ARG 18 2HG ARG 18 6.995 -26.317 -0.259 627 1HD ARG 18 1HD ARG 18 7.766 -24.183 0.660 628 2HD ARG 18 2HD ARG 18 6.558 -24.298 1.939 629 HE ARG 18 HE ARG 18 9.099 -25.504 1.940 630 1HH1 ARG 18 1HH1 ARG 18 5.785 -26.200 2.771 631 2HH1 ARG 18 2HH1 ARG 18 6.201 -27.360 3.988 632 1HH2 ARG 18 1HH2 ARG 18 9.653 -27.028 3.539 633 2HH2 ARG 18 2HH2 ARG 18 8.398 -27.830 4.425 634 H GLU 19 H GLU 19 5.410 -24.799 -3.680 635 HA GLU 19 HA GLU 19 7.892 -26.304 -4.108 636 1HB GLU 19 1HB GLU 19 6.669 -27.404 -5.945 637 2HB GLU 19 2HB GLU 19 5.846 -27.569 -4.400 638 1HG GLU 19 2HG GLU 19 4.314 -25.770 -5.028 639 2HG GLU 19 1HG GLU 19 5.137 -25.616 -6.579 640 H SER 20 H SER 20 8.039 -23.465 -4.330 641 HA SER 20 HA SER 20 9.200 -23.273 -6.944 642 1HB SER 20 1HB SER 20 6.762 -21.581 -6.334 643 2HB SER 20 2HB SER 20 7.828 -21.360 -7.721 644 HG SER 20 HG SER 20 5.750 -22.975 -7.516 645 H THR 21 H THR 21 9.330 -20.529 -7.215 646 HA THR 21 HA THR 21 11.089 -19.826 -4.988 647 HB THR 21 HB THR 21 10.753 -18.455 -7.666 648 HG1 THR 21 1HG THR 21 13.108 -19.761 -7.213 649 1HG2 THR 21 1HG2 THR 21 13.076 -17.583 -7.029 650 2HG2 THR 21 2HG2 THR 21 12.678 -18.084 -5.385 651 3HG2 THR 21 3HG2 THR 21 11.691 -16.872 -6.201 652 H LEU 22 H LEU 22 11.057 -17.579 -4.165 653 HA LEU 22 HA LEU 22 8.530 -16.823 -3.275 654 1HB LEU 22 2HB LEU 22 9.633 -15.413 -1.942 655 2HB LEU 22 1HB LEU 22 11.081 -16.165 -2.581 656 HG LEU 22 HG LEU 22 9.869 -13.713 -3.830 657 1HD1 LEU 22 1HD1 LEU 22 10.338 -13.237 -1.480 658 2HD1 LEU 22 2HD1 LEU 22 11.453 -12.384 -2.550 659 3HD1 LEU 22 3HD1 LEU 22 11.988 -13.829 -1.691 660 1HD2 LEU 22 1HD2 LEU 22 12.748 -14.468 -3.872 661 2HD2 LEU 22 2HD2 LEU 22 11.819 -13.489 -5.008 662 3HD2 LEU 22 3HD2 LEU 22 11.613 -15.243 -4.980 663 H GLU 23 H GLU 23 9.982 -16.310 -6.278 664 HA GLU 23 HA GLU 23 9.319 -13.867 -7.190 665 1HB GLU 23 2HB GLU 23 10.290 -15.596 -8.616 666 2HB GLU 23 1HB GLU 23 8.778 -16.488 -8.604 667 1HG GLU 23 1HG GLU 23 7.681 -14.656 -9.784 668 2HG GLU 23 2HG GLU 23 9.198 -13.757 -9.796 669 H THR 24 H THR 24 7.076 -16.326 -6.190 670 HA THR 24 HA THR 24 4.735 -15.480 -7.434 671 HB THR 24 HB THR 24 4.740 -17.526 -6.154 672 HG1 THR 24 1HG THR 24 2.698 -17.163 -5.780 673 1HG2 THR 24 1HG2 THR 24 6.191 -17.259 -4.373 674 2HG2 THR 24 2HG2 THR 24 4.623 -17.214 -3.568 675 3HG2 THR 24 3HG2 THR 24 5.489 -15.714 -3.896 676 H LEU 25 H LEU 25 6.382 -14.227 -4.572 677 HA LEU 25 HA LEU 25 4.325 -12.377 -3.935 678 1HB LEU 25 2HB LEU 25 6.116 -11.279 -2.503 679 2HB LEU 25 1HB LEU 25 5.602 -12.892 -2.084 680 HG LEU 25 HG LEU 25 7.674 -13.788 -3.133 681 1HD1 LEU 25 1HD2 LEU 25 9.293 -11.486 -3.084 682 2HD1 LEU 25 2HD2 LEU 25 7.903 -11.109 -4.099 683 3HD1 LEU 25 3HD2 LEU 25 8.907 -12.520 -4.462 684 1HD2 LEU 25 1HD1 LEU 25 7.442 -12.170 -0.736 685 2HD2 LEU 25 2HD1 LEU 25 9.098 -12.262 -1.333 686 3HD2 LEU 25 3HD1 LEU 25 8.207 -13.742 -0.975 687 H GLU 26 H GLU 26 7.435 -12.062 -5.686 688 HA GLU 26 HA GLU 26 7.207 -9.288 -6.046 689 1HB GLU 26 1HB GLU 26 8.764 -9.494 -7.897 690 2HB GLU 26 2HB GLU 26 9.288 -10.513 -6.566 691 1HG GLU 26 1HG GLU 26 8.446 -12.474 -7.699 692 2HG GLU 26 2HG GLU 26 7.830 -11.475 -9.015 693 H GLU 27 H GLU 27 5.496 -11.937 -7.289 694 HA GLU 27 HA GLU 27 4.423 -10.552 -9.593 695 1HB GLU 27 1HB GLU 27 4.689 -12.923 -9.804 696 2HB GLU 27 2HB GLU 27 3.814 -13.215 -8.308 697 1HG GLU 27 2HG GLU 27 2.428 -13.775 -10.186 698 2HG GLU 27 1HG GLU 27 1.766 -12.366 -9.359 699 H MET 28 H MET 28 3.019 -11.927 -6.615 700 HA MET 28 HA MET 28 0.670 -10.258 -6.921 701 1HB MET 28 1HB MET 28 1.332 -12.362 -4.863 702 2HB MET 28 2HB MET 28 -0.212 -11.532 -4.999 703 1HG MET 28 1HG MET 28 -0.517 -12.473 -7.234 704 2HG MET 28 2HG MET 28 1.024 -13.315 -7.084 705 1HE MET 28 1HE MET 28 -0.249 -15.331 -7.860 706 2HE MET 28 2HE MET 28 -1.954 -14.929 -7.651 707 3HE MET 28 3HE MET 28 -1.276 -16.343 -6.845 708 H LEU 29 H LEU 29 3.267 -10.718 -4.554 709 HA LEU 29 HA LEU 29 2.357 -8.882 -2.641 710 1HB LEU 29 2HB LEU 29 4.026 -10.409 -1.994 711 2HB LEU 29 1HB LEU 29 5.096 -9.948 -3.295 712 HG LEU 29 HG LEU 29 5.454 -7.753 -2.158 713 1HD1 LEU 29 1HD2 LEU 29 4.395 -7.136 -0.285 714 2HD1 LEU 29 2HD2 LEU 29 4.401 -8.768 0.379 715 3HD1 LEU 29 3HD2 LEU 29 3.180 -8.302 -0.806 716 1HD2 LEU 29 1HD1 LEU 29 6.493 -8.991 -0.018 717 2HD2 LEU 29 2HD1 LEU 29 7.211 -9.083 -1.626 718 3HD2 LEU 29 3HD1 LEU 29 6.184 -10.392 -1.044 719 H GLU 30 H GLU 30 4.224 -8.380 -5.579 720 HA GLU 30 HA GLU 30 4.925 -5.681 -5.039 721 1HB GLU 30 2HB GLU 30 6.195 -6.714 -6.726 722 2HB GLU 30 1HB GLU 30 4.766 -7.300 -7.567 723 1HG GLU 30 1HG GLU 30 5.875 -5.478 -8.763 724 2HG GLU 30 2HG GLU 30 4.224 -5.071 -8.302 725 H LYS 31 H LYS 31 2.074 -7.218 -6.346 726 HA LYS 31 HA LYS 31 0.928 -4.714 -7.249 727 1HB LYS 31 2HB LYS 31 -0.568 -7.301 -6.918 728 2HB LYS 31 1HB LYS 31 -0.867 -5.997 -8.064 729 1HG LYS 31 2HG LYS 31 1.454 -7.902 -8.077 730 2HG LYS 31 1HG LYS 31 0.089 -7.899 -9.198 731 1HD LYS 31 2HD LYS 31 0.769 -5.750 -10.075 732 2HD LYS 31 1HD LYS 31 2.054 -5.631 -8.871 733 1HE LYS 31 1HE LYS 31 2.945 -6.303 -11.036 734 2HE LYS 31 2HE LYS 31 3.153 -7.580 -9.839 735 1HZ LYS 31 1HZ LYS 31 1.156 -8.655 -10.753 736 2HZ LYS 31 2HZ LYS 31 2.395 -8.520 -11.896 737 3HZ LYS 31 3HZ LYS 31 1.074 -7.467 -11.955 738 H LEU 32 H LEU 32 0.937 -6.764 -4.502 739 HA LEU 32 HA LEU 32 -1.377 -5.753 -3.212 740 1HB LEU 32 1HB LEU 32 -0.165 -7.906 -2.717 741 2HB LEU 32 2HB LEU 32 1.056 -6.941 -1.910 742 HG LEU 32 HG LEU 32 -0.544 -6.141 -0.291 743 1HD1 LEU 32 1HD2 LEU 32 -2.445 -6.656 -2.216 744 2HD1 LEU 32 2HD2 LEU 32 -2.754 -6.183 -0.546 745 3HD1 LEU 32 3HD2 LEU 32 -2.752 -7.889 -0.994 746 1HD2 LEU 32 1HD1 LEU 32 -0.890 -8.131 0.924 747 2HD2 LEU 32 2HD1 LEU 32 0.582 -8.365 -0.015 748 3HD2 LEU 32 3HD1 LEU 32 -0.929 -9.105 -0.544 749 H GLU 33 H GLU 33 1.879 -4.668 -3.607 750 HA GLU 33 HA GLU 33 1.646 -2.734 -1.439 751 1HB GLU 33 2HB GLU 33 3.896 -2.211 -1.769 752 2HB GLU 33 1HB GLU 33 3.807 -3.935 -2.075 753 1HG GLU 33 2HG GLU 33 5.158 -3.245 -3.783 754 2HG GLU 33 1HG GLU 33 3.579 -3.192 -4.562 755 H VAL 34 H VAL 34 1.532 -2.837 -4.970 756 HA VAL 34 HA VAL 34 1.409 -0.014 -5.322 757 HB VAL 34 HB VAL 34 0.655 -0.403 -7.568 758 1HG1 VAL 34 1HG1 VAL 34 2.865 -2.054 -6.505 759 2HG1 VAL 34 2HG1 VAL 34 2.886 -0.754 -7.696 760 3HG1 VAL 34 3HG1 VAL 34 2.351 -2.369 -8.163 761 1HG2 VAL 34 1HG2 VAL 34 -1.036 -2.085 -7.162 762 2HG2 VAL 34 2HG2 VAL 34 0.206 -3.269 -6.761 763 3HG2 VAL 34 3HG2 VAL 34 0.087 -2.641 -8.404 764 H VAL 35 H VAL 35 -0.951 -2.550 -4.737 765 HA VAL 35 HA VAL 35 -3.288 -1.120 -5.288 766 HB VAL 35 HB VAL 35 -3.252 -3.559 -4.790 767 1HG1 VAL 35 1HG1 VAL 35 -2.338 -2.580 -2.183 768 2HG1 VAL 35 2HG1 VAL 35 -2.066 -4.129 -2.979 769 3HG1 VAL 35 3HG1 VAL 35 -3.577 -3.832 -2.120 770 1HG2 VAL 35 1HG2 VAL 35 -5.160 -1.625 -3.759 771 2HG2 VAL 35 2HG2 VAL 35 -5.230 -3.180 -2.929 772 3HG2 VAL 35 3HG2 VAL 35 -5.429 -3.106 -4.680 773 H VAL 36 H VAL 36 -1.274 -1.284 -2.374 774 HA VAL 36 HA VAL 36 -2.955 0.694 -1.078 775 HB VAL 36 HB VAL 36 -0.618 0.490 0.429 776 1HG1 VAL 36 1HG2 VAL 36 -3.393 -0.612 0.716 777 2HG1 VAL 36 2HG2 VAL 36 -2.719 0.853 1.424 778 3HG1 VAL 36 3HG2 VAL 36 -2.188 -0.731 1.998 779 1HG2 VAL 36 1HG1 VAL 36 -0.290 -1.849 0.841 780 2HG2 VAL 36 2HG1 VAL 36 -0.051 -1.530 -0.878 781 3HG2 VAL 36 3HG1 VAL 36 -1.550 -2.269 -0.324 782 H ASN 37 H ASN 37 -0.186 0.587 -3.093 783 HA ASN 37 HA ASN 37 1.137 2.924 -2.323 784 1HB ASN 37 1HB ASN 37 2.056 1.488 -4.070 785 2HB ASN 37 2HB ASN 37 0.662 1.800 -5.102 786 1HD2 ASN 37 2HD2 ASN 37 1.119 3.087 -6.699 787 2HD2 ASN 37 1HD2 ASN 37 2.211 4.437 -6.656 788 H GLU 38 H GLU 38 -1.787 2.327 -4.104 789 HA GLU 38 HA GLU 38 -2.278 5.135 -4.636 790 1HB GLU 38 1HB GLU 38 -4.032 2.708 -5.060 791 2HB GLU 38 2HB GLU 38 -4.395 4.336 -5.615 792 1HG GLU 38 2HG GLU 38 -2.423 4.289 -7.052 793 2HG GLU 38 1HG GLU 38 -2.054 2.659 -6.493 794 H ARG 39 H ARG 39 -3.620 2.550 -2.590 795 HA ARG 39 HA ARG 39 -5.588 4.182 -1.356 796 1HB ARG 39 1HB ARG 39 -4.420 1.497 -0.779 797 2HB ARG 39 2HB ARG 39 -5.372 2.290 0.463 798 1HG ARG 39 1HG ARG 39 -6.796 0.825 -0.773 799 2HG ARG 39 2HG ARG 39 -7.231 2.488 -1.168 800 1HD ARG 39 1HD ARG 39 -5.566 2.174 -3.132 801 2HD ARG 39 2HD ARG 39 -5.809 0.453 -2.822 802 HE ARG 39 HE ARG 39 -7.788 0.636 -3.918 803 1HH1 ARG 39 1HH1 ARG 39 -7.018 3.749 -2.551 804 2HH1 ARG 39 2HH1 ARG 39 -8.440 4.519 -3.177 805 1HH2 ARG 39 1HH2 ARG 39 -9.663 1.644 -4.744 806 2HH2 ARG 39 2HH2 ARG 39 -9.940 3.324 -4.422 807 H ARG 40 H ARG 40 -2.459 2.995 -0.160 808 HA ARG 40 HA ARG 40 -2.432 4.202 2.315 809 1HB ARG 40 2HB ARG 40 -0.190 3.619 0.391 810 2HB ARG 40 1HB ARG 40 0.133 4.447 1.906 811 1HG ARG 40 1HG ARG 40 -1.132 1.729 1.652 812 2HG ARG 40 2HG ARG 40 0.557 2.047 2.068 813 1HD ARG 40 2HD ARG 40 -1.894 2.845 3.644 814 2HD ARG 40 1HD ARG 40 -0.710 1.611 4.080 815 HE ARG 40 HE ARG 40 0.654 4.019 3.760 816 1HH1 ARG 40 1HH1 ARG 40 -1.754 2.635 5.863 817 2HH1 ARG 40 2HH1 ARG 40 -1.307 3.606 7.225 818 1HH2 ARG 40 1HH2 ARG 40 1.247 5.302 5.546 819 2HH2 ARG 40 2HH2 ARG 40 0.398 5.122 7.045 820 H GLU 41 H GLU 41 -1.651 5.671 -0.810 821 HA GLU 41 HA GLU 41 -0.990 8.211 0.410 822 1HB GLU 41 2HB GLU 41 -1.270 7.415 -2.487 823 2HB GLU 41 1HB GLU 41 -0.702 8.982 -1.927 824 1HG GLU 41 2HG GLU 41 1.186 7.892 -0.813 825 2HG GLU 41 1HG GLU 41 0.620 6.329 -1.400 826 H GLU 42 H GLU 42 -3.736 6.923 -1.443 827 HA GLU 42 HA GLU 42 -5.045 9.477 -1.584 828 1HB GLU 42 2HB GLU 42 -5.779 6.690 -2.386 829 2HB GLU 42 1HB GLU 42 -7.024 7.927 -2.308 830 1HG GLU 42 1HG GLU 42 -6.157 7.682 -4.562 831 2HG GLU 42 2HG GLU 42 -5.815 9.283 -3.915 832 H GLU 43 H GLU 43 -5.348 6.605 0.394 833 HA GLU 43 HA GLU 43 -7.719 7.216 1.707 834 1HB GLU 43 2HB GLU 43 -5.349 5.535 2.332 835 2HB GLU 43 1HB GLU 43 -6.511 5.852 3.620 836 1HG GLU 43 2HG GLU 43 -7.233 4.734 0.923 837 2HG GLU 43 1HG GLU 43 -6.917 3.753 2.347 838 H SER 44 H SER 44 -4.362 8.028 2.563 839 HA SER 44 HA SER 44 -4.921 9.394 4.951 840 1HB SER 44 2HB SER 44 -2.621 8.818 4.270 841 2HB SER 44 1HB SER 44 -2.734 9.947 2.920 842 HG SER 44 HG SER 44 -2.757 11.636 4.327 843 H ALA 45 H ALA 45 -5.068 10.258 1.596 844 HA ALA 45 HA ALA 45 -5.521 13.043 1.882 845 1HB ALA 45 1HB ALA 45 -6.677 12.448 -0.487 846 2HB ALA 45 2HB ALA 45 -5.645 11.030 -0.270 847 3HB ALA 45 3HB ALA 45 -4.939 12.649 -0.267 848 H ALA 46 H ALA 46 -7.621 10.209 1.655 849 HA ALA 46 HA ALA 46 -10.089 11.524 1.480 850 1HB ALA 46 1HB ALA 46 -9.423 8.835 2.685 851 2HB ALA 46 2HB ALA 46 -9.873 9.154 1.009 852 3HB ALA 46 3HB ALA 46 -11.049 9.400 2.300 853 H ALA 47 H ALA 47 -8.138 10.521 4.242 854 HA ALA 47 HA ALA 47 -9.987 11.135 6.271 855 1HB ALA 47 1HB ALA 47 -8.230 10.862 7.783 856 2HB ALA 47 2HB ALA 47 -7.022 11.416 6.625 857 3HB ALA 47 3HB ALA 47 -7.776 9.834 6.425 858 H ALA 48 H ALA 48 -7.532 13.073 4.638 859 HA ALA 48 HA ALA 48 -7.890 15.390 6.261 860 1HB ALA 48 1HB ALA 48 -6.192 14.585 4.116 861 2HB ALA 48 2HB ALA 48 -5.997 15.930 5.239 862 3HB ALA 48 3HB ALA 48 -6.890 16.160 3.736 863 H GLU 49 H GLU 49 -9.200 14.309 3.174 864 HA GLU 49 HA GLU 49 -10.533 16.679 2.465 865 1HB GLU 49 2HB GLU 49 -10.109 14.865 0.875 866 2HB GLU 49 1HB GLU 49 -11.210 13.818 1.760 867 1HG GLU 49 2HG GLU 49 -12.311 14.658 -0.194 868 2HG GLU 49 1HG GLU 49 -13.055 15.364 1.238 869 H VAL 50 H VAL 50 -11.613 13.846 4.302 870 HA VAL 50 HA VAL 50 -14.288 14.772 4.616 871 HB VAL 50 HB VAL 50 -14.456 13.013 6.387 872 1HG1 VAL 50 1HG2 VAL 50 -15.142 11.983 4.525 873 2HG1 VAL 50 2HG2 VAL 50 -13.567 11.192 4.549 874 3HG1 VAL 50 3HG2 VAL 50 -13.814 12.634 3.564 875 1HG2 VAL 50 1HG1 VAL 50 -12.312 11.408 6.093 876 2HG2 VAL 50 2HG1 VAL 50 -12.494 12.574 7.403 877 3HG2 VAL 50 3HG1 VAL 50 -11.540 12.989 5.978 878 H GLU 51 H GLU 51 -13.581 16.994 5.257 879 HA GLU 51 HA GLU 51 -13.604 18.650 6.811 880 1HB GLU 51 1HB GLU 51 -14.115 16.413 8.779 881 2HB GLU 51 2HB GLU 51 -14.284 18.129 9.117 882 1HG GLU 51 2HG GLU 51 -16.073 18.297 7.488 883 2HG GLU 51 1HG GLU 51 -15.883 16.591 7.085 884 H GLU 52 H GLU 52 -11.958 19.756 7.661 885 HA GLU 52 HA GLU 52 -9.415 18.522 7.973 886 1HB GLU 52 2HB GLU 52 -10.330 21.299 8.748 887 2HB GLU 52 1HB GLU 52 -8.657 20.765 8.665 888 1HG GLU 52 2HG GLU 52 -8.895 20.369 6.270 889 2HG GLU 52 1HG GLU 52 -10.576 20.894 6.350 890 H ARG 53 H ARG 53 -11.819 19.804 10.210 891 HA ARG 53 HA ARG 53 -11.155 18.021 12.280 892 1HB ARG 53 2HB ARG 53 -9.147 19.439 12.468 893 2HB ARG 53 1HB ARG 53 -10.169 20.852 12.686 894 1HG ARG 53 1HG ARG 53 -9.293 20.091 14.809 895 2HG ARG 53 2HG ARG 53 -11.047 19.901 14.759 896 1HD ARG 53 1HD ARG 53 -10.766 17.525 14.219 897 2HD ARG 53 2HD ARG 53 -9.015 17.720 14.291 898 HE ARG 53 HE ARG 53 -10.733 17.284 16.476 899 1HH1 ARG 53 1HH1 ARG 53 -7.961 19.189 15.560 900 2HH1 ARG 53 2HH1 ARG 53 -7.364 19.331 17.179 901 1HH2 ARG 53 1HH2 ARG 53 -9.953 17.466 18.607 902 2HH2 ARG 53 2HH2 ARG 53 -8.496 18.351 18.911 903 H THR 54 H THR 54 -12.452 21.195 11.447 904 HA THR 54 HA THR 54 -14.323 21.308 13.591 905 HB THR 54 HB THR 54 -15.358 23.162 12.356 906 HG1 THR 54 1HG THR 54 -15.228 22.924 10.244 907 1HG2 THR 54 1HG2 THR 54 -13.734 24.493 13.109 908 2HG2 THR 54 2HG2 THR 54 -12.640 23.964 11.831 909 3HG2 THR 54 3HG2 THR 54 -12.738 23.057 13.341 910 H ARG 55 H ARG 55 -16.316 20.481 13.765 911 HA ARG 55 HA ARG 55 -17.237 18.519 11.962 912 1HB ARG 55 2HB ARG 55 -19.206 18.371 13.340 913 2HB ARG 55 1HB ARG 55 -17.806 18.575 14.382 914 1HG ARG 55 1HG ARG 55 -19.692 20.787 13.594 915 2HG ARG 55 2HG ARG 55 -19.770 19.880 15.104 916 1HD ARG 55 2HD ARG 55 -17.479 21.605 14.173 917 2HD ARG 55 1HD ARG 55 -18.642 22.009 15.434 918 HE ARG 55 HE ARG 55 -16.302 20.484 15.757 919 1HH1 ARG 55 1HH1 ARG 55 -19.647 20.531 16.740 920 2HH1 ARG 55 2HH1 ARG 55 -19.356 19.682 18.220 921 1HH2 ARG 55 1HH2 ARG 55 -15.913 19.365 17.704 922 2HH2 ARG 55 2HH2 ARG 55 -17.235 19.020 18.768 923 H LYS 56 H LYS 56 -18.585 18.594 10.259 924 HA LYS 56 HA LYS 56 -19.139 21.093 9.034 925 1HB LYS 56 2HB LYS 56 -18.720 19.033 7.747 926 2HB LYS 56 1HB LYS 56 -20.218 18.349 8.361 927 1HG LYS 56 2HG LYS 56 -21.505 20.047 7.219 928 2HG LYS 56 1HG LYS 56 -20.024 20.837 6.673 929 1HD LYS 56 2HD LYS 56 -20.963 19.502 4.880 930 2HD LYS 56 1HD LYS 56 -19.430 18.806 5.413 931 1HE LYS 56 2HE LYS 56 -20.647 17.163 6.758 932 2HE LYS 56 1HE LYS 56 -22.177 17.856 6.218 933 1HZ LYS 56 1HZ LYS 56 -22.002 16.904 4.195 934 2HZ LYS 56 2HZ LYS 56 -21.039 15.791 5.029 935 3HZ LYS 56 3HZ LYS 56 -20.316 17.034 4.136 936 H LEU 57 H LEU 57 -21.155 18.714 10.716 937 HA LEU 57 HA LEU 57 -23.633 19.948 10.281 938 1HB LEU 57 2HB LEU 57 -22.724 18.272 12.621 939 2HB LEU 57 1HB LEU 57 -24.390 18.676 12.265 940 HG LEU 57 HG LEU 57 -22.576 17.022 10.506 941 1HD1 LEU 57 1HD1 LEU 57 -24.444 15.306 11.153 942 2HD1 LEU 57 2HD1 LEU 57 -24.624 16.349 12.565 943 3HD1 LEU 57 3HD1 LEU 57 -23.070 15.583 12.226 944 1HD2 LEU 57 1HD2 LEU 57 -25.315 18.126 10.157 945 2HD2 LEU 57 2HD2 LEU 57 -24.964 16.519 9.522 946 3HD2 LEU 57 3HD2 LEU 57 -24.023 17.907 8.976 Start of MODEL 20 1 H SER 1 1HT SER 1 4.475 4.056 0.002 2 HA SER 1 HA SER 1 6.954 4.871 0.367 3 1HB SER 1 2HB SER 1 5.257 6.404 2.356 4 2HB SER 1 1HB SER 1 7.017 6.289 2.387 5 HG SER 1 HG SER 1 5.611 7.277 0.142 6 H GLU 2 H GLU 2 4.096 4.234 2.377 7 HA GLU 2 HA GLU 2 5.522 2.449 4.122 8 1HB GLU 2 2HB GLU 2 3.632 3.772 4.950 9 2HB GLU 2 1HB GLU 2 2.556 2.961 3.821 10 1HG GLU 2 2HG GLU 2 2.267 2.025 6.006 11 2HG GLU 2 1HG GLU 2 3.016 0.826 4.956 12 H ALA 3 H ALA 3 3.437 2.182 1.331 13 HA ALA 3 HA ALA 3 3.117 -0.672 1.471 14 1HB ALA 3 1HB ALA 3 2.642 1.229 -0.825 15 2HB ALA 3 2HB ALA 3 1.449 0.765 0.387 16 3HB ALA 3 3HB ALA 3 2.089 -0.442 -0.728 17 H LEU 4 H LEU 4 5.380 1.516 0.281 18 HA LEU 4 HA LEU 4 6.639 -0.243 -1.611 19 1HB LEU 4 1HB LEU 4 7.341 2.481 -0.513 20 2HB LEU 4 2HB LEU 4 8.218 1.683 -1.805 21 HG LEU 4 HG LEU 4 6.531 2.059 -3.360 22 1HD1 LEU 4 1HD2 LEU 4 4.210 2.813 -2.674 23 2HD1 LEU 4 2HD2 LEU 4 4.633 2.309 -1.037 24 3HD1 LEU 4 3HD2 LEU 4 4.614 1.128 -2.348 25 1HD2 LEU 4 1HD1 LEU 4 6.699 4.268 -3.428 26 2HD2 LEU 4 2HD1 LEU 4 7.381 4.197 -1.801 27 3HD2 LEU 4 3HD1 LEU 4 5.648 4.448 -2.021 28 H LYS 5 H LYS 5 7.346 1.189 1.531 29 HA LYS 5 HA LYS 5 9.817 -0.231 1.838 30 1HB LYS 5 2HB LYS 5 9.604 2.026 2.733 31 2HB LYS 5 1HB LYS 5 8.275 1.513 3.767 32 1HG LYS 5 2HG LYS 5 10.474 1.729 4.920 33 2HG LYS 5 1HG LYS 5 9.718 0.137 5.069 34 1HD LYS 5 1HD LYS 5 12.001 -0.265 4.585 35 2HD LYS 5 2HD LYS 5 11.106 -0.569 3.089 36 1HE LYS 5 2HE LYS 5 11.712 1.637 2.259 37 2HE LYS 5 1HE LYS 5 12.576 1.980 3.757 38 1HZ LYS 5 1HZ LYS 5 13.484 0.606 1.458 39 2HZ LYS 5 2HZ LYS 5 13.594 -0.407 2.808 40 3HZ LYS 5 3HZ LYS 5 14.361 1.101 2.818 41 H ILE 6 H ILE 6 6.502 -0.771 2.658 42 HA ILE 6 HA ILE 6 6.674 -2.360 4.918 43 HB ILE 6 HB ILE 6 4.503 -1.764 4.038 44 1HG1 ILE 6 2HG1 ILE 6 4.984 -4.735 3.755 45 2HG1 ILE 6 1HG1 ILE 6 4.657 -3.878 5.249 46 1HG2 ILE 6 1HG2 ILE 6 3.675 -2.355 1.939 47 2HG2 ILE 6 2HG2 ILE 6 4.938 -3.557 1.678 48 3HG2 ILE 6 3HG2 ILE 6 5.333 -1.840 1.628 49 1HD1 ILE 6 1HD1 ILE 6 2.842 -4.813 3.185 50 2HD1 ILE 6 2HD1 ILE 6 2.549 -3.147 3.691 51 3HD1 ILE 6 3HD1 ILE 6 2.534 -4.446 4.885 52 H LEU 7 H LEU 7 6.744 -3.259 1.549 53 HA LEU 7 HA LEU 7 7.821 -5.877 2.204 54 1HB LEU 7 1HB LEU 7 6.667 -6.641 0.428 55 2HB LEU 7 2HB LEU 7 5.828 -5.104 0.497 56 HG LEU 7 HG LEU 7 7.769 -4.323 -1.099 57 1HD1 LEU 7 1HD1 LEU 7 8.190 -7.161 -0.916 58 2HD1 LEU 7 2HD1 LEU 7 9.154 -5.934 -1.739 59 3HD1 LEU 7 3HD1 LEU 7 7.796 -6.697 -2.574 60 1HD2 LEU 7 1HD2 LEU 7 6.272 -5.429 -2.993 61 2HD2 LEU 7 2HD2 LEU 7 5.710 -4.074 -2.011 62 3HD2 LEU 7 3HD2 LEU 7 5.211 -5.722 -1.614 63 H ASN 8 H ASN 8 8.719 -2.807 1.323 64 HA ASN 8 HA ASN 8 10.680 -1.856 0.651 65 1HB ASN 8 1HB ASN 8 11.626 -3.474 2.331 66 2HB ASN 8 2HB ASN 8 11.904 -4.602 1.007 67 1HD2 ASN 8 2HD2 ASN 8 12.299 -1.515 -0.148 68 2HD2 ASN 8 1HD2 ASN 8 14.023 -1.386 0.016 69 H ASN 9 H ASN 9 8.854 -3.002 -1.248 70 HA ASN 9 HA ASN 9 8.636 -3.368 -3.470 71 1HB ASN 9 1HB ASN 9 11.490 -2.372 -3.551 72 2HB ASN 9 2HB ASN 9 10.430 -2.542 -4.947 73 1HD2 ASN 9 1HD2 ASN 9 8.478 -1.611 -2.458 74 2HD2 ASN 9 2HD2 ASN 9 8.516 0.096 -2.701 75 H ILE 10 H ILE 10 8.583 -5.191 -4.597 76 HA ILE 10 HA ILE 10 9.894 -7.527 -3.842 77 HB ILE 10 HB ILE 10 9.118 -8.533 -5.898 78 1HG1 ILE 10 1HG1 ILE 10 9.647 -6.663 -7.433 79 2HG1 ILE 10 2HG1 ILE 10 8.005 -7.258 -7.647 80 1HG2 ILE 10 1HG2 ILE 10 7.370 -6.889 -4.199 81 2HG2 ILE 10 2HG2 ILE 10 7.347 -8.623 -4.529 82 3HG2 ILE 10 3HG2 ILE 10 6.648 -7.492 -5.692 83 1HD1 ILE 10 1HD1 ILE 10 8.089 -4.841 -7.770 84 2HD1 ILE 10 2HD1 ILE 10 8.795 -4.770 -6.155 85 3HD1 ILE 10 3HD1 ILE 10 7.149 -5.366 -6.372 86 H ARG 11 H ARG 11 10.984 -4.969 -5.925 87 HA ARG 11 HA ARG 11 12.893 -6.409 -7.419 88 1HB ARG 11 1HB ARG 11 13.952 -4.187 -7.792 89 2HB ARG 11 2HB ARG 11 12.227 -4.207 -8.125 90 1HG ARG 11 1HG ARG 11 11.811 -3.182 -5.928 91 2HG ARG 11 2HG ARG 11 13.554 -3.113 -5.654 92 1HD ARG 11 2HD ARG 11 12.714 -0.966 -6.434 93 2HD ARG 11 1HD ARG 11 13.812 -1.681 -7.614 94 HE ARG 11 HE ARG 11 11.195 -2.419 -8.277 95 1HH1 ARG 11 1HH1 ARG 11 13.203 0.426 -8.160 96 2HH1 ARG 11 2HH1 ARG 11 12.357 1.233 -9.439 97 1HH2 ARG 11 1HH2 ARG 11 10.076 -1.365 -9.961 98 2HH2 ARG 11 2HH2 ARG 11 10.579 0.215 -10.462 99 H THR 12 H THR 12 13.285 -4.450 -4.465 100 HA THR 12 HA THR 12 16.009 -5.247 -4.088 101 HB THR 12 HB THR 12 14.084 -3.931 -2.157 102 HG1 THR 12 1HG THR 12 15.007 -2.029 -2.857 103 1HG2 THR 12 1HG2 THR 12 17.090 -4.202 -2.034 104 2HG2 THR 12 2HG2 THR 12 15.932 -5.027 -0.991 105 3HG2 THR 12 3HG2 THR 12 16.092 -3.273 -0.914 106 H LEU 13 H LEU 13 12.882 -6.249 -2.880 107 HA LEU 13 HA LEU 13 13.750 -7.932 -0.810 108 1HB LEU 13 2HB LEU 13 11.432 -7.102 -1.112 109 2HB LEU 13 1HB LEU 13 11.253 -8.183 -2.479 110 HG LEU 13 HG LEU 13 11.859 -9.148 0.316 111 1HD1 LEU 13 1HD1 LEU 13 9.393 -9.849 0.192 112 2HD1 LEU 13 2HD1 LEU 13 9.252 -8.613 -1.059 113 3HD1 LEU 13 3HD1 LEU 13 9.763 -8.167 0.569 114 1HD2 LEU 13 1HD2 LEU 13 10.880 -10.546 -2.169 115 2HD2 LEU 13 2HD2 LEU 13 11.028 -11.287 -0.576 116 3HD2 LEU 13 3HD2 LEU 13 12.471 -10.720 -1.421 117 H ARG 14 H ARG 14 12.849 -8.673 -4.164 118 HA ARG 14 HA ARG 14 13.139 -11.379 -4.232 119 1HB ARG 14 2HB ARG 14 12.410 -10.057 -6.154 120 2HB ARG 14 1HB ARG 14 14.028 -9.395 -6.335 121 1HG ARG 14 2HG ARG 14 13.674 -11.099 -7.983 122 2HG ARG 14 1HG ARG 14 14.867 -11.666 -6.812 123 1HD ARG 14 2HD ARG 14 13.139 -12.950 -5.665 124 2HD ARG 14 1HD ARG 14 11.939 -12.376 -6.821 125 HE ARG 14 HE ARG 14 12.606 -14.059 -8.192 126 1HH1 ARG 14 1HH1 ARG 14 15.299 -13.220 -6.140 127 2HH1 ARG 14 2HH1 ARG 14 16.346 -14.427 -6.808 128 1HH2 ARG 14 1HH2 ARG 14 13.981 -15.648 -9.072 129 2HH2 ARG 14 2HH2 ARG 14 15.598 -15.805 -8.473 130 H ALA 15 H ALA 15 15.665 -8.975 -4.136 131 HA ALA 15 HA ALA 15 17.781 -10.879 -4.638 132 1HB ALA 15 1HB ALA 15 18.079 -8.066 -3.652 133 2HB ALA 15 2HB ALA 15 17.820 -8.471 -5.348 134 3HB ALA 15 3HB ALA 15 19.261 -9.049 -4.513 135 H GLN 16 H GLN 16 16.751 -8.889 -1.865 136 HA GLN 16 HA GLN 16 18.699 -9.895 -0.077 137 1HB GLN 16 1HB GLN 16 17.136 -9.030 1.706 138 2HB GLN 16 2HB GLN 16 17.589 -7.848 0.482 139 1HG GLN 16 1HG GLN 16 15.476 -8.260 -0.677 140 2HG GLN 16 2HG GLN 16 15.019 -9.408 0.578 141 1HE2 GLN 16 1HE2 GLN 16 13.357 -8.476 1.549 142 2HE2 GLN 16 2HE2 GLN 16 13.360 -6.884 2.243 143 H ALA 17 H ALA 17 15.544 -10.940 -1.002 144 HA ALA 17 HA ALA 17 15.424 -13.058 0.964 145 1HB ALA 17 1HB ALA 17 13.567 -11.826 -0.952 146 2HB ALA 17 2HB ALA 17 13.287 -12.416 0.688 147 3HB ALA 17 3HB ALA 17 13.342 -13.553 -0.661 148 H ARG 18 H ARG 18 16.490 -12.552 -2.258 149 HA ARG 18 HA ARG 18 16.140 -14.912 -3.566 150 1HB ARG 18 2HB ARG 18 17.373 -12.958 -4.442 151 2HB ARG 18 1HB ARG 18 18.726 -13.357 -3.395 152 1HG ARG 18 2HG ARG 18 19.081 -15.428 -4.584 153 2HG ARG 18 1HG ARG 18 17.666 -15.113 -5.594 154 1HD ARG 18 2HD ARG 18 18.728 -13.074 -6.428 155 2HD ARG 18 1HD ARG 18 20.145 -13.411 -5.438 156 HE ARG 18 HE ARG 18 19.666 -15.633 -7.069 157 1HH1 ARG 18 1HH1 ARG 18 20.647 -12.301 -7.357 158 2HH1 ARG 18 2HH1 ARG 18 21.583 -12.566 -8.789 159 1HH2 ARG 18 1HH2 ARG 18 20.896 -15.990 -8.955 160 2HH2 ARG 18 2HH2 ARG 18 21.724 -14.663 -9.698 161 H GLU 19 H GLU 19 18.126 -14.299 -0.785 162 HA GLU 19 HA GLU 19 19.197 -17.035 -0.885 163 1HB GLU 19 2HB GLU 19 20.021 -14.691 0.837 164 2HB GLU 19 1HB GLU 19 20.778 -16.277 0.850 165 1HG GLU 19 1HG GLU 19 20.673 -14.437 -1.529 166 2HG GLU 19 2HG GLU 19 22.044 -14.605 -0.435 167 H SER 20 H SER 20 16.472 -16.779 -0.236 168 HA SER 20 HA SER 20 16.483 -18.025 2.369 169 1HB SER 20 1HB SER 20 14.900 -15.478 1.937 170 2HB SER 20 2HB SER 20 14.832 -16.503 3.371 171 HG SER 20 HG SER 20 17.164 -16.083 3.529 172 H THR 21 H THR 21 13.524 -17.339 2.572 173 HA THR 21 HA THR 21 12.537 -19.102 0.425 174 HB THR 21 HB THR 21 11.589 -19.118 3.301 175 HG1 THR 21 1HG THR 21 13.551 -20.124 3.308 176 1HG2 THR 21 1HG2 THR 21 9.878 -19.745 1.628 177 2HG2 THR 21 2HG2 THR 21 10.333 -21.097 2.665 178 3HG2 THR 21 3HG2 THR 21 10.962 -20.998 1.021 179 H LEU 22 H LEU 22 10.122 -18.894 0.101 180 HA LEU 22 HA LEU 22 9.431 -16.248 -0.379 181 1HB LEU 22 2HB LEU 22 7.842 -17.190 -1.601 182 2HB LEU 22 1HB LEU 22 8.407 -18.751 -1.033 183 HG LEU 22 HG LEU 22 6.339 -17.149 0.434 184 1HD1 LEU 22 1HD1 LEU 22 6.043 -19.036 -1.860 185 2HD1 LEU 22 2HD1 LEU 22 5.268 -17.473 -1.590 186 3HD1 LEU 22 3HD1 LEU 22 4.770 -18.879 -0.648 187 1HD2 LEU 22 1HD2 LEU 22 6.024 -18.938 1.771 188 2HD2 LEU 22 2HD2 LEU 22 7.728 -19.189 1.381 189 3HD2 LEU 22 3HD2 LEU 22 6.483 -20.095 0.520 190 H GLU 23 H GLU 23 9.345 -18.010 2.516 191 HA GLU 23 HA GLU 23 7.185 -17.194 3.932 192 1HB GLU 23 1HB GLU 23 8.581 -17.200 5.944 193 2HB GLU 23 2HB GLU 23 8.992 -18.547 4.893 194 1HG GLU 23 2HG GLU 23 10.937 -17.331 4.074 195 2HG GLU 23 1HG GLU 23 10.524 -15.968 5.114 196 H THR 24 H THR 24 9.701 -15.218 2.654 197 HA THR 24 HA THR 24 9.538 -12.924 4.210 198 HB THR 24 HB THR 24 9.922 -13.070 1.212 199 HG1 THR 24 1HG THR 24 11.659 -13.381 3.419 200 1HG2 THR 24 1HG2 THR 24 9.643 -10.822 1.506 201 2HG2 THR 24 2HG2 THR 24 11.351 -10.944 1.929 202 3HG2 THR 24 3HG2 THR 24 10.132 -10.872 3.200 203 H LEU 25 H LEU 25 7.460 -14.047 1.575 204 HA LEU 25 HA LEU 25 5.892 -11.686 1.528 205 1HB LEU 25 1HB LEU 25 4.231 -13.146 0.250 206 2HB LEU 25 2HB LEU 25 5.775 -12.784 -0.482 207 HG LEU 25 HG LEU 25 6.571 -15.059 0.154 208 1HD1 LEU 25 1HD2 LEU 25 4.128 -15.089 1.651 209 2HD1 LEU 25 2HD2 LEU 25 5.448 -16.270 1.625 210 3HD1 LEU 25 3HD2 LEU 25 4.122 -16.393 0.465 211 1HD2 LEU 25 1HD1 LEU 25 5.970 -15.542 -1.917 212 2HD2 LEU 25 2HD1 LEU 25 4.746 -14.274 -1.868 213 3HD2 LEU 25 3HD1 LEU 25 4.337 -15.915 -1.365 214 H GLU 26 H GLU 26 5.358 -14.910 3.015 215 HA GLU 26 HA GLU 26 2.805 -14.311 3.985 216 1HB GLU 26 2HB GLU 26 3.107 -16.071 5.615 217 2HB GLU 26 1HB GLU 26 3.810 -16.585 4.089 218 1HG GLU 26 2HG GLU 26 6.029 -16.116 4.912 219 2HG GLU 26 1HG GLU 26 5.366 -15.478 6.415 220 H GLU 27 H GLU 27 5.932 -13.218 4.822 221 HA GLU 27 HA GLU 27 5.173 -12.143 7.403 222 1HB GLU 27 1HB GLU 27 7.434 -12.891 7.195 223 2HB GLU 27 2HB GLU 27 7.679 -11.945 5.734 224 1HG GLU 27 1HG GLU 27 7.554 -9.893 6.988 225 2HG GLU 27 2HG GLU 27 7.177 -10.784 8.464 226 H MET 28 H MET 28 6.207 -10.775 4.276 227 HA MET 28 HA MET 28 5.271 -8.149 5.060 228 1HB MET 28 1HB MET 28 6.573 -9.055 2.491 229 2HB MET 28 2HB MET 28 6.268 -7.388 2.958 230 1HG MET 28 1HG MET 28 8.114 -9.320 4.340 231 2HG MET 28 2HG MET 28 8.586 -7.965 3.317 232 1HE MET 28 1HE MET 28 9.966 -8.313 5.657 233 2HE MET 28 2HE MET 28 9.621 -7.291 7.053 234 3HE MET 28 3HE MET 28 10.133 -6.562 5.531 235 H LEU 29 H LEU 29 4.582 -10.516 2.516 236 HA LEU 29 HA LEU 29 2.614 -9.132 1.093 237 1HB LEU 29 1HB LEU 29 3.730 -11.303 0.483 238 2HB LEU 29 2HB LEU 29 2.691 -12.103 1.642 239 HG LEU 29 HG LEU 29 0.722 -11.402 0.306 240 1HD1 LEU 29 1HD1 LEU 29 2.742 -10.587 -1.769 241 2HD1 LEU 29 2HD1 LEU 29 1.850 -9.446 -0.761 242 3HD1 LEU 29 3HD1 LEU 29 0.985 -10.497 -1.883 243 1HD2 LEU 29 1HD2 LEU 29 2.872 -13.017 -1.048 244 2HD2 LEU 29 2HD2 LEU 29 1.195 -12.958 -1.587 245 3HD2 LEU 29 3HD2 LEU 29 1.586 -13.610 0.004 246 H GLU 30 H GLU 30 2.317 -11.162 3.982 247 HA GLU 30 HA GLU 30 -0.490 -11.145 4.164 248 1HB GLU 30 1HB GLU 30 0.822 -12.717 5.450 249 2HB GLU 30 2HB GLU 30 1.613 -11.408 6.318 250 1HG GLU 30 2HG GLU 30 -0.538 -10.789 7.319 251 2HG GLU 30 1HG GLU 30 -1.304 -12.135 6.475 252 H LYS 31 H LYS 31 1.933 -8.823 5.142 253 HA LYS 31 HA LYS 31 0.008 -7.245 6.650 254 1HB LYS 31 1HB LYS 31 2.804 -6.394 5.949 255 2HB LYS 31 2HB LYS 31 1.826 -5.919 7.333 256 1HG LYS 31 1HG LYS 31 3.035 -8.623 6.831 257 2HG LYS 31 2HG LYS 31 3.571 -7.437 8.025 258 1HD LYS 31 1HD LYS 31 1.484 -7.662 9.232 259 2HD LYS 31 2HD LYS 31 0.851 -8.747 7.990 260 1HE LYS 31 2HE LYS 31 1.615 -9.996 9.938 261 2HE LYS 31 1HE LYS 31 2.585 -10.377 8.515 262 1HZ LYS 31 1HZ LYS 31 4.224 -10.057 10.036 263 2HZ LYS 31 2HZ LYS 31 3.339 -8.941 10.950 264 3HZ LYS 31 3HZ LYS 31 4.067 -8.459 9.501 265 H LEU 32 H LEU 32 1.596 -7.312 3.595 266 HA LEU 32 HA LEU 32 0.945 -4.689 2.748 267 1HB LEU 32 2HB LEU 32 2.752 -6.083 1.809 268 2HB LEU 32 1HB LEU 32 1.541 -7.141 1.111 269 HG LEU 32 HG LEU 32 0.751 -5.342 -0.327 270 1HD1 LEU 32 1HD2 LEU 32 0.889 -3.287 0.549 271 2HD1 LEU 32 2HD2 LEU 32 2.519 -3.266 -0.123 272 3HD1 LEU 32 3HD2 LEU 32 2.267 -3.706 1.566 273 1HD2 LEU 32 1HD1 LEU 32 3.763 -5.479 -0.349 274 2HD2 LEU 32 2HD1 LEU 32 2.727 -5.011 -1.696 275 3HD2 LEU 32 3HD1 LEU 32 2.678 -6.662 -1.078 276 H GLU 33 H GLU 33 -0.745 -7.680 2.943 277 HA GLU 33 HA GLU 33 -2.825 -6.832 1.097 278 1HB GLU 33 1HB GLU 33 -3.943 -8.931 1.651 279 2HB GLU 33 2HB GLU 33 -2.265 -9.214 1.207 280 1HG GLU 33 2HG GLU 33 -1.645 -9.586 3.471 281 2HG GLU 33 1HG GLU 33 -3.206 -9.023 4.056 282 H VAL 34 H VAL 34 -2.290 -7.144 4.576 283 HA VAL 34 HA VAL 34 -4.942 -6.428 5.304 284 HB VAL 34 HB VAL 34 -4.125 -6.081 7.557 285 1HG1 VAL 34 1HG1 VAL 34 -3.908 -8.275 7.978 286 2HG1 VAL 34 2HG1 VAL 34 -2.549 -8.462 6.871 287 3HG1 VAL 34 3HG1 VAL 34 -4.197 -8.441 6.246 288 1HG2 VAL 34 1HG2 VAL 34 -1.718 -6.412 8.079 289 2HG2 VAL 34 2HG2 VAL 34 -2.059 -4.940 7.170 290 3HG2 VAL 34 3HG2 VAL 34 -1.382 -6.346 6.348 291 H VAL 35 H VAL 35 -1.966 -4.595 4.710 292 HA VAL 35 HA VAL 35 -2.802 -2.119 5.722 293 HB VAL 35 HB VAL 35 -1.327 -1.036 4.042 294 1HG1 VAL 35 1HG2 VAL 35 -0.453 -3.073 5.927 295 2HG1 VAL 35 2HG2 VAL 35 0.107 -1.416 5.689 296 3HG1 VAL 35 3HG2 VAL 35 0.725 -2.712 4.663 297 1HG2 VAL 35 1HG1 VAL 35 0.024 -2.419 2.536 298 2HG2 VAL 35 2HG1 VAL 35 -1.698 -2.488 2.155 299 3HG2 VAL 35 3HG1 VAL 35 -0.927 -3.828 3.002 300 H VAL 36 H VAL 36 -3.141 -3.520 2.478 301 HA VAL 36 HA VAL 36 -4.882 -1.389 1.646 302 HB VAL 36 HB VAL 36 -3.406 -2.521 0.029 303 1HG1 VAL 36 1HG1 VAL 36 -3.282 -4.725 0.015 304 2HG1 VAL 36 2HG1 VAL 36 -4.861 -4.728 -0.770 305 3HG1 VAL 36 3HG1 VAL 36 -4.747 -4.867 0.985 306 1HG2 VAL 36 1HG2 VAL 36 -6.155 -1.824 -0.272 307 2HG2 VAL 36 2HG2 VAL 36 -5.697 -3.063 -1.445 308 3HG2 VAL 36 3HG2 VAL 36 -4.798 -1.547 -1.364 309 H ASN 37 H ASN 37 -5.259 -4.384 3.266 310 HA ASN 37 HA ASN 37 -7.857 -5.078 2.422 311 1HB ASN 37 1HB ASN 37 -6.531 -6.643 3.721 312 2HB ASN 37 2HB ASN 37 -6.475 -5.520 5.079 313 1HD2 ASN 37 2HD2 ASN 37 -7.688 -6.164 6.670 314 2HD2 ASN 37 1HD2 ASN 37 -9.242 -6.925 6.537 315 H GLU 38 H GLU 38 -6.721 -3.049 5.099 316 HA GLU 38 HA GLU 38 -9.333 -2.325 5.981 317 1HB GLU 38 2HB GLU 38 -6.698 -0.877 6.344 318 2HB GLU 38 1HB GLU 38 -8.180 -0.527 7.222 319 1HG GLU 38 1HG GLU 38 -6.694 -3.142 7.322 320 2HG GLU 38 2HG GLU 38 -6.568 -1.857 8.522 321 H ARG 39 H ARG 39 -6.950 -0.930 3.827 322 HA ARG 39 HA ARG 39 -8.414 1.427 3.176 323 1HB ARG 39 1HB ARG 39 -6.028 0.019 2.022 324 2HB ARG 39 2HB ARG 39 -6.771 1.359 1.168 325 1HG ARG 39 1HG ARG 39 -4.863 2.088 2.461 326 2HG ARG 39 2HG ARG 39 -6.352 2.824 3.053 327 1HD ARG 39 2HD ARG 39 -6.407 0.920 4.749 328 2HD ARG 39 1HD ARG 39 -4.739 0.613 4.269 329 HE ARG 39 HE ARG 39 -4.146 2.315 5.643 330 1HH1 ARG 39 1HH1 ARG 39 -7.365 2.958 4.465 331 2HH1 ARG 39 2HH1 ARG 39 -7.530 4.438 5.351 332 1HH2 ARG 39 1HH2 ARG 39 -4.358 4.262 6.811 333 2HH2 ARG 39 2HH2 ARG 39 -5.823 5.178 6.683 334 H ARG 40 H ARG 40 -8.370 -1.822 2.012 335 HA ARG 40 HA ARG 40 -9.472 -1.388 -0.558 336 1HB ARG 40 1HB ARG 40 -8.793 -3.668 1.127 337 2HB ARG 40 2HB ARG 40 -10.273 -3.954 0.218 338 1HG ARG 40 2HG ARG 40 -7.568 -3.219 -0.907 339 2HG ARG 40 1HG ARG 40 -8.350 -4.805 -0.990 340 1HD ARG 40 1HD ARG 40 -9.334 -2.249 -2.266 341 2HD ARG 40 2HD ARG 40 -8.588 -3.613 -3.098 342 HE ARG 40 HE ARG 40 -10.815 -4.555 -1.697 343 1HH1 ARG 40 1HH1 ARG 40 -10.069 -2.472 -4.389 344 2HH1 ARG 40 2HH1 ARG 40 -11.563 -2.782 -5.209 345 1HH2 ARG 40 1HH2 ARG 40 -12.784 -4.970 -2.770 346 2HH2 ARG 40 2HH2 ARG 40 -13.106 -4.202 -4.289 347 H GLU 41 H GLU 41 -10.877 -2.141 2.585 348 HA GLU 41 HA GLU 41 -13.577 -2.043 1.534 349 1HB GLU 41 2HB GLU 41 -14.248 -2.462 3.876 350 2HB GLU 41 1HB GLU 41 -13.096 -3.647 3.276 351 1HG GLU 41 1HG GLU 41 -11.292 -2.487 4.444 352 2HG GLU 41 2HG GLU 41 -12.450 -1.303 5.050 353 H GLU 42 H GLU 42 -11.359 0.113 3.138 354 HA GLU 42 HA GLU 42 -13.414 1.984 3.930 355 1HB GLU 42 1HB GLU 42 -11.353 1.665 5.267 356 2HB GLU 42 2HB GLU 42 -10.412 2.321 3.933 357 1HG GLU 42 1HG GLU 42 -10.773 3.996 5.643 358 2HG GLU 42 2HG GLU 42 -11.583 4.449 4.144 359 H GLU 43 H GLU 43 -10.975 1.742 1.406 360 HA GLU 43 HA GLU 43 -11.289 4.321 0.336 361 1HB GLU 43 2HB GLU 43 -10.195 1.748 -0.679 362 2HB GLU 43 1HB GLU 43 -10.520 3.026 -1.843 363 1HG GLU 43 1HG GLU 43 -8.733 3.259 0.572 364 2HG GLU 43 2HG GLU 43 -8.205 3.034 -1.093 365 H SER 44 H SER 44 -12.797 1.224 -0.533 366 HA SER 44 HA SER 44 -14.372 2.134 -2.648 367 1HB SER 44 2HB SER 44 -14.143 -0.256 -2.064 368 2HB SER 44 1HB SER 44 -15.060 0.020 -0.583 369 HG SER 44 HG SER 44 -15.931 -0.120 -3.221 370 H ALA 45 H ALA 45 -14.685 2.368 0.791 371 HA ALA 45 HA ALA 45 -17.355 3.322 0.919 372 1HB ALA 45 1HB ALA 45 -16.193 4.298 3.166 373 2HB ALA 45 2HB ALA 45 -15.066 3.004 2.745 374 3HB ALA 45 3HB ALA 45 -16.777 2.641 2.993 375 H ALA 46 H ALA 46 -14.175 4.907 0.900 376 HA ALA 46 HA ALA 46 -15.102 7.561 1.132 377 1HB ALA 46 1HB ALA 46 -12.562 6.605 -0.202 378 2HB ALA 46 2HB ALA 46 -12.759 6.851 1.534 379 3HB ALA 46 3HB ALA 46 -12.880 8.221 0.431 380 H ALA 47 H ALA 47 -14.481 5.492 -1.662 381 HA ALA 47 HA ALA 47 -14.794 7.444 -3.663 382 1HB ALA 47 1HB ALA 47 -14.240 5.738 -4.971 383 2HB ALA 47 2HB ALA 47 -15.733 4.891 -4.566 384 3HB ALA 47 3HB ALA 47 -14.298 4.682 -3.561 385 H ALA 48 H ALA 48 -17.121 5.150 -2.262 386 HA ALA 48 HA ALA 48 -19.335 6.026 -3.793 387 1HB ALA 48 1HB ALA 48 -19.264 4.622 -1.122 388 2HB ALA 48 2HB ALA 48 -19.331 3.854 -2.708 389 3HB ALA 48 3HB ALA 48 -20.695 4.814 -2.135 390 H GLU 49 H GLU 49 -17.992 6.977 -0.702 391 HA GLU 49 HA GLU 49 -20.068 8.604 0.228 392 1HB GLU 49 1HB GLU 49 -18.277 7.919 1.685 393 2HB GLU 49 2HB GLU 49 -17.085 8.732 0.683 394 1HG GLU 49 1HG GLU 49 -17.999 10.883 1.286 395 2HG GLU 49 2HG GLU 49 -19.270 10.105 2.228 396 H VAL 50 H VAL 50 -17.196 9.431 -1.698 397 HA VAL 50 HA VAL 50 -17.966 12.179 -1.963 398 HB VAL 50 HB VAL 50 -15.613 11.608 -1.969 399 1HG1 VAL 50 1HG1 VAL 50 -15.993 10.234 -4.615 400 2HG1 VAL 50 2HG1 VAL 50 -15.957 9.368 -3.080 401 3HG1 VAL 50 3HG1 VAL 50 -14.546 10.285 -3.607 402 1HG2 VAL 50 1HG2 VAL 50 -15.193 12.540 -4.481 403 2HG2 VAL 50 2HG2 VAL 50 -15.616 13.546 -3.097 404 3HG2 VAL 50 3HG2 VAL 50 -16.871 13.012 -4.215 405 H GLU 51 H GLU 51 -20.168 11.642 -2.780 406 HA GLU 51 HA GLU 51 -20.565 10.518 -5.343 407 1HB GLU 51 2HB GLU 51 -22.308 12.456 -3.804 408 2HB GLU 51 1HB GLU 51 -22.819 11.518 -5.200 409 1HG GLU 51 2HG GLU 51 -21.881 10.339 -2.598 410 2HG GLU 51 1HG GLU 51 -23.568 10.576 -3.051 411 H GLU 52 H GLU 52 -22.313 12.682 -6.389 412 HA GLU 52 HA GLU 52 -20.895 15.039 -6.885 413 1HB GLU 52 2HB GLU 52 -20.118 14.632 -9.198 414 2HB GLU 52 1HB GLU 52 -19.257 13.656 -8.016 415 1HG GLU 52 1HG GLU 52 -20.637 11.729 -8.596 416 2HG GLU 52 2HG GLU 52 -21.508 12.708 -9.774 417 H ARG 53 H ARG 53 -23.534 14.467 -6.364 418 HA ARG 53 HA ARG 53 -24.858 15.910 -8.390 419 1HB ARG 53 2HB ARG 53 -26.413 14.166 -9.189 420 2HB ARG 53 1HB ARG 53 -24.750 13.842 -9.654 421 1HG ARG 53 2HG ARG 53 -24.592 12.278 -7.716 422 2HG ARG 53 1HG ARG 53 -26.323 12.511 -7.466 423 1HD ARG 53 2HD ARG 53 -25.003 11.418 -9.947 424 2HD ARG 53 1HD ARG 53 -25.906 10.490 -8.751 425 HE ARG 53 HE ARG 53 -26.991 11.899 -10.932 426 1HH1 ARG 53 1HH1 ARG 53 -27.594 11.263 -7.558 427 2HH1 ARG 53 2HH1 ARG 53 -29.308 11.468 -7.696 428 1HH2 ARG 53 1HH2 ARG 53 -29.242 12.167 -11.120 429 2HH2 ARG 53 2HH2 ARG 53 -30.246 11.981 -9.721 430 H THR 54 H THR 54 -25.190 13.615 -5.728 431 HA THR 54 HA THR 54 -27.793 14.289 -4.939 432 HB THR 54 HB THR 54 -25.507 13.329 -3.204 433 HG1 THR 54 1HG THR 54 -27.566 11.917 -4.586 434 1HG2 THR 54 1HG2 THR 54 -26.933 13.106 -1.473 435 2HG2 THR 54 2HG2 THR 54 -28.274 12.619 -2.510 436 3HG2 THR 54 3HG2 THR 54 -27.881 14.327 -2.321 437 H ARG 55 H ARG 55 -24.696 15.776 -4.269 438 HA ARG 55 HA ARG 55 -24.128 17.805 -3.417 439 1HB ARG 55 2HB ARG 55 -27.088 18.412 -3.372 440 2HB ARG 55 1HB ARG 55 -25.774 19.578 -3.293 441 1HG ARG 55 2HG ARG 55 -26.455 17.820 -5.641 442 2HG ARG 55 1HG ARG 55 -26.761 19.552 -5.501 443 1HD ARG 55 1HD ARG 55 -24.048 18.236 -5.482 444 2HD ARG 55 2HD ARG 55 -24.771 19.079 -6.852 445 HE ARG 55 HE ARG 55 -23.369 20.266 -4.723 446 1HH1 ARG 55 1HH1 ARG 55 -26.212 20.751 -6.680 447 2HH1 ARG 55 2HH1 ARG 55 -26.202 22.473 -6.493 448 1HH2 ARG 55 1HH2 ARG 55 -23.350 22.531 -4.474 449 2HH2 ARG 55 2HH2 ARG 55 -24.577 23.484 -5.240 450 H LYS 56 H LYS 56 -23.531 18.355 -1.413 451 HA LYS 56 HA LYS 56 -24.416 16.864 0.811 452 1HB LYS 56 1HB LYS 56 -22.825 19.435 0.745 453 2HB LYS 56 2HB LYS 56 -22.985 18.372 2.135 454 1HG LYS 56 2HG LYS 56 -21.861 16.588 0.909 455 2HG LYS 56 1HG LYS 56 -21.708 17.648 -0.494 456 1HD LYS 56 2HD LYS 56 -20.347 19.196 0.824 457 2HD LYS 56 1HD LYS 56 -20.501 18.138 2.227 458 1HE LYS 56 2HE LYS 56 -19.212 17.408 -0.399 459 2HE LYS 56 1HE LYS 56 -18.357 17.825 1.087 460 1HZ LYS 56 1HZ LYS 56 -20.307 15.676 1.280 461 2HZ LYS 56 2HZ LYS 56 -18.785 15.825 2.001 462 3HZ LYS 56 3HZ LYS 56 -18.911 15.335 0.387 463 H LEU 57 H LEU 57 -25.889 17.262 2.366 464 HA LEU 57 HA LEU 57 -27.987 19.048 1.912 465 1HB LEU 57 2HB LEU 57 -28.834 18.428 4.070 466 2HB LEU 57 1HB LEU 57 -28.179 17.009 3.284 467 HG LEU 57 HG LEU 57 -27.589 16.845 5.563 468 1HD1 LEU 57 1HD1 LEU 57 -25.102 17.945 4.291 469 2HD1 LEU 57 2HD1 LEU 57 -25.783 16.370 3.886 470 3HD1 LEU 57 3HD1 LEU 57 -25.237 16.698 5.531 471 1HD2 LEU 57 1HD2 LEU 57 -26.817 18.512 6.945 472 2HD2 LEU 57 2HD2 LEU 57 -27.934 19.389 5.899 473 3HD2 LEU 57 3HD2 LEU 57 -26.197 19.482 5.609 474 H SER 1 1HT SER 1 -11.847 -10.066 1.213 475 HA SER 1 HA SER 1 -12.811 -9.340 -1.145 476 1HB SER 1 2HB SER 1 -11.959 -7.087 -0.562 477 2HB SER 1 1HB SER 1 -12.584 -7.938 0.850 478 HG SER 1 HG SER 1 -10.696 -7.357 1.620 479 H GLU 2 H GLU 2 -10.694 -7.208 -1.741 480 HA GLU 2 HA GLU 2 -9.509 -8.622 -3.961 481 1HB GLU 2 2HB GLU 2 -10.453 -6.385 -4.288 482 2HB GLU 2 1HB GLU 2 -9.303 -5.722 -3.135 483 1HG GLU 2 2HG GLU 2 -8.612 -5.266 -5.411 484 2HG GLU 2 1HG GLU 2 -7.461 -6.334 -4.608 485 H ALA 3 H ALA 3 -8.461 -7.181 -0.944 486 HA ALA 3 HA ALA 3 -5.647 -7.383 -1.467 487 1HB ALA 3 1HB ALA 3 -7.086 -7.109 1.173 488 2HB ALA 3 2HB ALA 3 -6.613 -5.766 0.132 489 3HB ALA 3 3HB ALA 3 -5.380 -6.791 0.867 490 H LEU 4 H LEU 4 -8.088 -9.407 -0.214 491 HA LEU 4 HA LEU 4 -6.324 -11.318 1.007 492 1HB LEU 4 2HB LEU 4 -9.285 -11.227 0.456 493 2HB LEU 4 1HB LEU 4 -8.505 -12.557 1.293 494 HG LEU 4 HG LEU 4 -8.065 -11.251 3.199 495 1HD1 LEU 4 1HD2 LEU 4 -8.537 -8.754 3.204 496 2HD1 LEU 4 2HD2 LEU 4 -8.529 -8.853 1.443 497 3HD1 LEU 4 3HD2 LEU 4 -7.083 -9.282 2.358 498 1HD2 LEU 4 1HD1 LEU 4 -10.447 -9.784 3.029 499 2HD2 LEU 4 2HD1 LEU 4 -10.206 -11.380 3.745 500 3HD2 LEU 4 3HD1 LEU 4 -10.682 -11.233 2.051 501 H LYS 5 H LYS 5 -8.399 -11.107 -1.829 502 HA LYS 5 HA LYS 5 -7.683 -13.699 -2.819 503 1HB LYS 5 1HB LYS 5 -9.908 -12.693 -3.206 504 2HB LYS 5 2HB LYS 5 -9.153 -11.464 -4.213 505 1HG LYS 5 1HG LYS 5 -10.200 -13.347 -5.460 506 2HG LYS 5 2HG LYS 5 -8.494 -13.080 -5.830 507 1HD LYS 5 1HD LYS 5 -7.878 -14.890 -4.318 508 2HD LYS 5 2HD LYS 5 -9.579 -15.148 -3.920 509 1HE LYS 5 1HE LYS 5 -8.339 -15.463 -6.653 510 2HE LYS 5 2HE LYS 5 -8.781 -16.778 -5.565 511 1HZ LYS 5 1HZ LYS 5 -11.072 -16.188 -5.753 512 2HZ LYS 5 2HZ LYS 5 -10.443 -16.327 -7.317 513 3HZ LYS 5 3HZ LYS 5 -10.709 -14.798 -6.645 514 H ILE 6 H ILE 6 -6.503 -10.453 -3.243 515 HA ILE 6 HA ILE 6 -5.285 -10.594 -5.728 516 HB ILE 6 HB ILE 6 -5.382 -8.532 -4.367 517 1HG1 ILE 6 1HG1 ILE 6 -2.654 -9.488 -5.256 518 2HG1 ILE 6 2HG1 ILE 6 -3.793 -8.481 -6.150 519 1HG2 ILE 6 1HG2 ILE 6 -4.750 -9.842 -2.247 520 2HG2 ILE 6 2HG2 ILE 6 -4.172 -8.186 -2.427 521 3HG2 ILE 6 3HG2 ILE 6 -3.085 -9.538 -2.742 522 1HD1 ILE 6 1HD1 ILE 6 -2.366 -6.869 -5.469 523 2HD1 ILE 6 2HD1 ILE 6 -1.877 -7.757 -4.021 524 3HD1 ILE 6 3HD1 ILE 6 -3.419 -6.899 -4.055 525 H LEU 7 H LEU 7 -4.111 -11.524 -2.552 526 HA LEU 7 HA LEU 7 -1.850 -12.878 -3.801 527 1HB LEU 7 1HB LEU 7 -0.587 -12.311 -2.017 528 2HB LEU 7 2HB LEU 7 -1.816 -11.079 -1.803 529 HG LEU 7 HG LEU 7 -2.949 -12.900 -0.282 530 1HD1 LEU 7 1HD1 LEU 7 -0.390 -14.073 -0.892 531 2HD1 LEU 7 2HD1 LEU 7 -1.754 -14.753 -0.003 532 3HD1 LEU 7 3HD1 LEU 7 -0.545 -13.777 0.842 533 1HD2 LEU 7 1HD2 LEU 7 -1.030 -10.775 0.146 534 2HD2 LEU 7 2HD2 LEU 7 -0.977 -11.983 1.429 535 3HD2 LEU 7 3HD2 LEU 7 -2.496 -11.171 1.042 536 H ASN 8 H ASN 8 -4.873 -13.363 -2.482 537 HA ASN 8 HA ASN 8 -6.086 -15.240 -2.021 538 1HB ASN 8 2HB ASN 8 -3.631 -16.773 -2.913 539 2HB ASN 8 1HB ASN 8 -5.258 -17.425 -2.733 540 1HD2 ASN 8 2HD2 ASN 8 -3.078 -16.385 -4.911 541 2HD2 ASN 8 1HD2 ASN 8 -4.143 -15.911 -6.200 542 H ASN 9 H ASN 9 -4.374 -13.949 -0.045 543 HA ASN 9 HA ASN 9 -3.770 -14.188 2.127 544 1HB ASN 9 2HB ASN 9 -5.255 -16.814 1.898 545 2HB ASN 9 1HB ASN 9 -4.752 -16.054 3.406 546 1HD2 ASN 9 1HD2 ASN 9 -5.555 -13.568 1.416 547 2HD2 ASN 9 2HD2 ASN 9 -7.209 -13.372 1.863 548 H ILE 10 H ILE 10 -1.830 -14.611 2.931 549 HA ILE 10 HA ILE 10 0.089 -16.148 1.644 550 HB ILE 10 HB ILE 10 1.483 -15.907 3.619 551 1HG1 ILE 10 1HG1 ILE 10 -0.323 -16.314 5.304 552 2HG1 ILE 10 2HG1 ILE 10 0.696 -14.927 5.675 553 1HG2 ILE 10 1HG2 ILE 10 0.006 -13.647 2.434 554 2HG2 ILE 10 2HG2 ILE 10 1.739 -13.990 2.469 555 3HG2 ILE 10 3HG2 ILE 10 0.947 -13.292 3.885 556 1HD1 ILE 10 1HD1 ILE 10 -2.167 -15.051 5.010 557 2HD1 ILE 10 2HD1 ILE 10 -1.267 -13.686 4.350 558 3HD1 ILE 10 3HD1 ILE 10 -1.291 -13.966 6.091 559 H ARG 11 H ARG 11 -2.352 -17.159 3.874 560 HA ARG 11 HA ARG 11 -1.113 -19.471 4.896 561 1HB ARG 11 1HB ARG 11 -3.432 -20.230 5.391 562 2HB ARG 11 2HB ARG 11 -3.083 -18.604 5.958 563 1HG ARG 11 1HG ARG 11 -4.237 -17.694 3.980 564 2HG ARG 11 2HG ARG 11 -4.643 -19.341 3.491 565 1HD ARG 11 2HD ARG 11 -6.510 -18.290 4.648 566 2HD ARG 11 1HD ARG 11 -5.886 -19.661 5.565 567 HE ARG 11 HE ARG 11 -4.619 -17.340 6.476 568 1HH1 ARG 11 1HH1 ARG 11 -7.783 -18.801 6.452 569 2HH1 ARG 11 2HH1 ARG 11 -8.284 -18.045 7.928 570 1HH2 ARG 11 1HH2 ARG 11 -5.271 -16.340 8.419 571 2HH2 ARG 11 2HH2 ARG 11 -6.858 -16.646 9.045 572 H THR 12 H THR 12 -3.425 -19.158 2.182 573 HA THR 12 HA THR 12 -3.090 -21.893 1.396 574 HB THR 12 HB THR 12 -4.548 -21.439 -0.415 575 HG1 THR 12 1HG THR 12 -5.045 -19.139 -0.888 576 1HG2 THR 12 1HG2 THR 12 -5.646 -21.318 1.767 577 2HG2 THR 12 2HG2 THR 12 -6.411 -20.222 0.616 578 3HG2 THR 12 3HG2 THR 12 -5.314 -19.588 1.843 579 H LEU 13 H LEU 13 -1.799 -18.789 0.407 580 HA LEU 13 HA LEU 13 -0.521 -19.574 -1.954 581 1HB LEU 13 1HB LEU 13 -0.873 -17.227 -1.192 582 2HB LEU 13 2HB LEU 13 0.399 -17.460 -0.010 583 HG LEU 13 HG LEU 13 0.824 -17.717 -2.988 584 1HD1 LEU 13 1HD1 LEU 13 2.082 -15.479 -2.497 585 2HD1 LEU 13 2HD1 LEU 13 0.930 -15.361 -1.167 586 3HD1 LEU 13 3HD1 LEU 13 0.350 -15.476 -2.829 587 1HD2 LEU 13 1HD2 LEU 13 2.751 -17.464 -0.683 588 2HD2 LEU 13 2HD2 LEU 13 3.190 -17.499 -2.391 589 3HD2 LEU 13 3HD2 LEU 13 2.456 -18.918 -1.639 590 H ARG 14 H ARG 14 0.766 -19.326 1.347 591 HA ARG 14 HA ARG 14 3.354 -20.100 0.984 592 1HB ARG 14 1HB ARG 14 2.464 -19.430 3.151 593 2HB ARG 14 2HB ARG 14 1.485 -20.887 3.227 594 1HG ARG 14 1HG ARG 14 3.403 -21.134 4.646 595 2HG ARG 14 2HG ARG 14 3.549 -22.236 3.274 596 1HD ARG 14 1HD ARG 14 5.041 -20.655 2.164 597 2HD ARG 14 2HD ARG 14 4.892 -19.551 3.529 598 HE ARG 14 HE ARG 14 6.524 -20.753 4.554 599 1HH1 ARG 14 1HH1 ARG 14 4.899 -22.853 2.295 600 2HH1 ARG 14 2HH1 ARG 14 5.913 -24.215 2.635 601 1HH2 ARG 14 1HH2 ARG 14 7.863 -22.540 5.005 602 2HH2 ARG 14 2HH2 ARG 14 7.597 -24.038 4.175 603 H ALA 15 H ALA 15 0.499 -22.099 0.940 604 HA ALA 15 HA ALA 15 1.976 -24.582 0.911 605 1HB ALA 15 1HB ALA 15 -0.150 -25.653 0.798 606 2HB ALA 15 2HB ALA 15 -0.940 -24.141 0.354 607 3HB ALA 15 3HB ALA 15 -0.255 -24.337 1.967 608 H GLN 16 H GLN 16 -0.061 -22.809 -1.423 609 HA GLN 16 HA GLN 16 0.328 -24.654 -3.534 610 1HB GLN 16 1HB GLN 16 -0.547 -22.899 -5.003 611 2HB GLN 16 2HB GLN 16 -1.513 -23.026 -3.539 612 1HG GLN 16 1HG GLN 16 -0.339 -21.101 -2.606 613 2HG GLN 16 2HG GLN 16 0.609 -20.963 -4.084 614 1HE2 GLN 16 2HE2 GLN 16 -1.880 -19.653 -2.492 615 2HE2 GLN 16 1HE2 GLN 16 -2.817 -19.036 -3.818 616 H ALA 17 H ALA 17 2.072 -21.905 -2.406 617 HA ALA 17 HA ALA 17 3.926 -21.884 -4.628 618 1HB ALA 17 1HB ALA 17 3.336 -20.139 -2.332 619 2HB ALA 17 2HB ALA 17 3.750 -19.729 -3.998 620 3HB ALA 17 3HB ALA 17 5.020 -20.187 -2.861 621 H ARG 18 H ARG 18 3.597 -23.288 -1.515 622 HA ARG 18 HA ARG 18 6.103 -23.578 -0.514 623 1HB ARG 18 2HB ARG 18 4.072 -24.557 0.471 624 2HB ARG 18 1HB ARG 18 4.044 -25.770 -0.798 625 1HG ARG 18 2HG ARG 18 6.144 -26.685 0.001 626 2HG ARG 18 1HG ARG 18 6.217 -25.441 1.255 627 1HD ARG 18 1HD ARG 18 4.120 -26.269 2.192 628 2HD ARG 18 2HD ARG 18 4.052 -27.512 0.945 629 HE ARG 18 HE ARG 18 6.491 -27.756 2.292 630 1HH1 ARG 18 1HH1 ARG 18 3.082 -28.151 2.900 631 2HH1 ARG 18 2HH1 ARG 18 3.310 -29.373 4.107 632 1HH2 ARG 18 1HH2 ARG 18 6.798 -29.364 3.878 633 2HH2 ARG 18 2HH2 ARG 18 5.422 -30.062 4.662 634 H GLU 19 H GLU 19 4.810 -24.990 -3.413 635 HA GLU 19 HA GLU 19 7.302 -26.500 -3.825 636 1HB GLU 19 2HB GLU 19 4.643 -26.733 -5.241 637 2HB GLU 19 1HB GLU 19 6.064 -27.712 -5.582 638 1HG GLU 19 1HG GLU 19 5.991 -28.550 -3.260 639 2HG GLU 19 2HG GLU 19 4.498 -27.647 -3.014 640 H SER 20 H SER 20 7.492 -23.753 -4.126 641 HA SER 20 HA SER 20 8.345 -23.597 -6.877 642 1HB SER 20 1HB SER 20 6.223 -21.684 -5.869 643 2HB SER 20 2HB SER 20 7.047 -21.578 -7.424 644 HG SER 20 HG SER 20 6.134 -23.605 -7.957 645 H THR 21 H THR 21 8.249 -20.580 -6.656 646 HA THR 21 HA THR 21 10.402 -20.219 -4.675 647 HB THR 21 HB THR 21 10.287 -18.946 -7.421 648 HG1 THR 21 1HG THR 21 11.251 -20.716 -8.042 649 1HG2 THR 21 1HG2 THR 21 11.649 -18.160 -5.088 650 2HG2 THR 21 2HG2 THR 21 11.885 -17.553 -6.728 651 3HG2 THR 21 3HG2 THR 21 12.857 -18.901 -6.138 652 H LEU 22 H LEU 22 10.678 -17.941 -3.962 653 HA LEU 22 HA LEU 22 8.276 -16.813 -3.146 654 1HB LEU 22 2HB LEU 22 9.608 -15.632 -1.824 655 2HB LEU 22 1HB LEU 22 10.972 -16.418 -2.599 656 HG LEU 22 HG LEU 22 9.767 -13.870 -3.627 657 1HD1 LEU 22 1HD1 LEU 22 10.461 -13.310 -1.451 658 2HD1 LEU 22 2HD1 LEU 22 11.768 -12.797 -2.522 659 3HD1 LEU 22 3HD1 LEU 22 11.925 -14.286 -1.588 660 1HD2 LEU 22 1HD2 LEU 22 11.473 -13.746 -5.091 661 2HD2 LEU 22 2HD2 LEU 22 11.393 -15.503 -4.937 662 3HD2 LEU 22 3HD2 LEU 22 12.598 -14.591 -4.026 663 H GLU 23 H GLU 23 9.837 -16.622 -6.150 664 HA GLU 23 HA GLU 23 9.397 -14.164 -7.186 665 1HB GLU 23 2HB GLU 23 10.276 -16.063 -8.487 666 2HB GLU 23 1HB GLU 23 8.672 -16.777 -8.532 667 1HG GLU 23 1HG GLU 23 7.853 -14.861 -9.807 668 2HG GLU 23 2HG GLU 23 9.465 -14.149 -9.766 669 H THR 24 H THR 24 7.008 -16.456 -6.155 670 HA THR 24 HA THR 24 4.728 -15.517 -7.448 671 HB THR 24 HB THR 24 4.606 -17.555 -6.179 672 HG1 THR 24 1HG THR 24 2.712 -16.103 -6.279 673 1HG2 THR 24 1HG2 THR 24 5.436 -17.821 -4.124 674 2HG2 THR 24 2HG2 THR 24 4.514 -16.452 -3.501 675 3HG2 THR 24 3HG2 THR 24 6.081 -16.186 -4.264 676 H LEU 25 H LEU 25 6.281 -14.384 -4.453 677 HA LEU 25 HA LEU 25 4.310 -12.428 -3.918 678 1HB LEU 25 1HB LEU 25 6.123 -11.362 -2.481 679 2HB LEU 25 2HB LEU 25 5.552 -12.951 -2.039 680 HG LEU 25 HG LEU 25 7.597 -13.926 -3.085 681 1HD1 LEU 25 1HD2 LEU 25 7.931 -11.275 -4.062 682 2HD1 LEU 25 2HD2 LEU 25 8.927 -12.709 -4.362 683 3HD1 LEU 25 3HD2 LEU 25 9.280 -11.653 -2.989 684 1HD2 LEU 25 1HD1 LEU 25 9.131 -13.101 -1.279 685 2HD2 LEU 25 2HD1 LEU 25 7.557 -13.669 -0.726 686 3HD2 LEU 25 3HD1 LEU 25 7.879 -11.939 -0.843 687 H GLU 26 H GLU 26 7.433 -12.311 -5.615 688 HA GLU 26 HA GLU 26 7.477 -9.568 -6.070 689 1HB GLU 26 1HB GLU 26 9.401 -10.867 -6.644 690 2HB GLU 26 2HB GLU 26 8.480 -11.855 -7.774 691 1HG GLU 26 1HG GLU 26 8.175 -9.896 -9.216 692 2HG GLU 26 2HG GLU 26 9.121 -8.929 -8.084 693 H GLU 27 H GLU 27 5.530 -12.095 -7.370 694 HA GLU 27 HA GLU 27 4.494 -10.506 -9.559 695 1HB GLU 27 1HB GLU 27 4.725 -12.928 -9.823 696 2HB GLU 27 2HB GLU 27 3.628 -13.192 -8.474 697 1HG GLU 27 1HG GLU 27 1.821 -12.141 -9.735 698 2HG GLU 27 2HG GLU 27 2.921 -11.875 -11.087 699 H MET 28 H MET 28 3.206 -11.856 -6.520 700 HA MET 28 HA MET 28 0.793 -10.272 -6.769 701 1HB MET 28 1HB MET 28 1.662 -12.201 -4.616 702 2HB MET 28 2HB MET 28 0.079 -11.442 -4.720 703 1HG MET 28 2HG MET 28 -0.327 -12.567 -6.844 704 2HG MET 28 1HG MET 28 1.264 -13.322 -6.749 705 1HE MET 28 1HE MET 28 0.176 -15.821 -7.001 706 2HE MET 28 2HE MET 28 -1.318 -14.922 -7.268 707 3HE MET 28 3HE MET 28 -1.289 -16.261 -6.122 708 H LEU 29 H LEU 29 3.478 -10.573 -4.477 709 HA LEU 29 HA LEU 29 2.735 -8.637 -2.608 710 1HB LEU 29 1HB LEU 29 4.635 -10.262 -2.441 711 2HB LEU 29 2HB LEU 29 5.539 -9.261 -3.556 712 HG LEU 29 HG LEU 29 5.591 -7.450 -1.939 713 1HD1 LEU 29 1HD2 LEU 29 4.596 -7.525 0.168 714 2HD1 LEU 29 2HD2 LEU 29 4.311 -9.263 0.073 715 3HD1 LEU 29 3HD2 LEU 29 3.350 -8.158 -0.910 716 1HD2 LEU 29 1HD1 LEU 29 6.939 -8.604 -0.183 717 2HD2 LEU 29 2HD1 LEU 29 7.397 -9.019 -1.836 718 3HD2 LEU 29 3HD1 LEU 29 6.429 -10.142 -0.879 719 H GLU 30 H GLU 30 4.355 -8.285 -5.716 720 HA GLU 30 HA GLU 30 5.005 -5.546 -5.499 721 1HB GLU 30 1HB GLU 30 6.041 -6.913 -7.202 722 2HB GLU 30 2HB GLU 30 4.479 -7.268 -7.927 723 1HG GLU 30 1HG GLU 30 4.228 -4.908 -8.527 724 2HG GLU 30 2HG GLU 30 5.808 -4.569 -7.820 725 H LYS 31 H LYS 31 2.092 -7.239 -6.479 726 HA LYS 31 HA LYS 31 0.807 -4.797 -7.385 727 1HB LYS 31 2HB LYS 31 -0.560 -7.441 -6.975 728 2HB LYS 31 1HB LYS 31 -0.957 -6.162 -8.119 729 1HG LYS 31 1HG LYS 31 1.463 -7.939 -8.204 730 2HG LYS 31 2HG LYS 31 0.046 -8.058 -9.251 731 1HD LYS 31 2HD LYS 31 0.531 -5.890 -10.211 732 2HD LYS 31 1HD LYS 31 1.873 -5.662 -9.086 733 1HE LYS 31 2HE LYS 31 2.677 -6.336 -11.287 734 2HE LYS 31 1HE LYS 31 3.039 -7.562 -10.072 735 1HZ LYS 31 1HZ LYS 31 2.091 -8.985 -11.471 736 2HZ LYS 31 2HZ LYS 31 1.429 -7.758 -12.429 737 3HZ LYS 31 3HZ LYS 31 0.604 -8.295 -11.054 738 H LEU 32 H LEU 32 1.004 -6.792 -4.603 739 HA LEU 32 HA LEU 32 -1.330 -5.873 -3.276 740 1HB LEU 32 1HB LEU 32 -0.031 -7.989 -2.823 741 2HB LEU 32 2HB LEU 32 1.160 -6.986 -2.017 742 HG LEU 32 HG LEU 32 -0.408 -6.302 -0.347 743 1HD1 LEU 32 1HD2 LEU 32 -2.471 -5.993 -1.260 744 2HD1 LEU 32 2HD2 LEU 32 -2.728 -7.554 -0.480 745 3HD1 LEU 32 3HD2 LEU 32 -2.398 -7.477 -2.211 746 1HD2 LEU 32 1HD1 LEU 32 -0.829 -8.373 0.762 747 2HD2 LEU 32 2HD1 LEU 32 0.696 -8.514 -0.111 748 3HD2 LEU 32 3HD1 LEU 32 -0.764 -9.260 -0.761 749 H GLU 33 H GLU 33 1.887 -4.694 -3.710 750 HA GLU 33 HA GLU 33 1.664 -2.769 -1.538 751 1HB GLU 33 1HB GLU 33 3.872 -2.047 -2.113 752 2HB GLU 33 2HB GLU 33 3.852 -3.803 -2.135 753 1HG GLU 33 1HG GLU 33 3.772 -3.817 -4.545 754 2HG GLU 33 2HG GLU 33 3.633 -2.060 -4.581 755 H VAL 34 H VAL 34 1.502 -2.842 -5.071 756 HA VAL 34 HA VAL 34 1.239 -0.018 -5.365 757 HB VAL 34 HB VAL 34 0.541 -0.444 -7.653 758 1HG1 VAL 34 1HG1 VAL 34 2.684 -2.461 -7.324 759 2HG1 VAL 34 2HG1 VAL 34 2.985 -0.845 -6.686 760 3HG1 VAL 34 3HG1 VAL 34 2.596 -1.060 -8.392 761 1HG2 VAL 34 1HG2 VAL 34 0.594 -2.945 -8.360 762 2HG2 VAL 34 2HG2 VAL 34 -0.874 -2.260 -7.665 763 3HG2 VAL 34 3HG2 VAL 34 0.201 -3.239 -6.666 764 H VAL 35 H VAL 35 -1.010 -2.713 -5.030 765 HA VAL 35 HA VAL 35 -3.396 -1.381 -5.599 766 HB VAL 35 HB VAL 35 -3.328 -3.819 -5.237 767 1HG1 VAL 35 1HG1 VAL 35 -2.662 -4.840 -3.352 768 2HG1 VAL 35 2HG1 VAL 35 -3.413 -3.632 -2.310 769 3HG1 VAL 35 3HG1 VAL 35 -1.840 -3.312 -3.040 770 1HG2 VAL 35 1HG2 VAL 35 -5.264 -2.018 -4.121 771 2HG2 VAL 35 2HG2 VAL 35 -5.217 -3.524 -3.204 772 3HG2 VAL 35 3HG2 VAL 35 -5.510 -3.559 -4.943 773 H VAL 36 H VAL 36 -1.600 -1.734 -2.566 774 HA VAL 36 HA VAL 36 -3.369 0.125 -1.249 775 HB VAL 36 HB VAL 36 -2.382 -1.791 -0.003 776 1HG1 VAL 36 1HG1 VAL 36 0.022 -0.930 0.912 777 2HG1 VAL 36 2HG1 VAL 36 0.098 -0.489 -0.794 778 3HG1 VAL 36 3HG1 VAL 36 -0.208 -2.162 -0.331 779 1HG2 VAL 36 1HG2 VAL 36 -1.613 -0.179 1.945 780 2HG2 VAL 36 2HG2 VAL 36 -3.298 -0.317 1.441 781 3HG2 VAL 36 3HG2 VAL 36 -2.316 1.027 0.863 782 H ASN 37 H ASN 37 -0.486 0.250 -3.096 783 HA ASN 37 HA ASN 37 0.823 2.469 -2.028 784 1HB ASN 37 2HB ASN 37 1.607 1.123 -3.993 785 2HB ASN 37 1HB ASN 37 0.376 1.907 -4.973 786 1HD2 ASN 37 2HD2 ASN 37 3.514 1.896 -4.470 787 2HD2 ASN 37 1HD2 ASN 37 3.904 3.566 -4.745 788 H GLU 38 H GLU 38 -1.919 2.216 -4.176 789 HA GLU 38 HA GLU 38 -2.342 5.033 -4.449 790 1HB GLU 38 1HB GLU 38 -4.238 2.724 -4.932 791 2HB GLU 38 2HB GLU 38 -4.507 4.385 -5.440 792 1HG GLU 38 1HG GLU 38 -2.539 4.262 -6.884 793 2HG GLU 38 2HG GLU 38 -2.281 2.592 -6.382 794 H ARG 39 H ARG 39 -3.641 2.474 -2.413 795 HA ARG 39 HA ARG 39 -5.604 4.056 -1.099 796 1HB ARG 39 1HB ARG 39 -4.311 1.409 -0.595 797 2HB ARG 39 2HB ARG 39 -5.279 2.141 0.670 798 1HG ARG 39 1HG ARG 39 -6.653 0.630 -0.555 799 2HG ARG 39 2HG ARG 39 -7.168 2.272 -0.930 800 1HD ARG 39 2HD ARG 39 -5.466 1.984 -2.919 801 2HD ARG 39 1HD ARG 39 -5.784 0.271 -2.635 802 HE ARG 39 HE ARG 39 -7.788 0.553 -3.668 803 1HH1 ARG 39 1HH1 ARG 39 -6.748 3.641 -2.434 804 2HH1 ARG 39 2HH1 ARG 39 -8.110 4.501 -3.072 805 1HH2 ARG 39 1HH2 ARG 39 -9.587 1.679 -4.515 806 2HH2 ARG 39 2HH2 ARG 39 -9.723 3.386 -4.255 807 H ARG 40 H ARG 40 -2.420 2.935 -0.111 808 HA ARG 40 HA ARG 40 -2.182 4.028 2.379 809 1HB ARG 40 1HB ARG 40 -0.304 3.235 0.240 810 2HB ARG 40 2HB ARG 40 0.359 4.357 1.419 811 1HG ARG 40 1HG ARG 40 -0.857 1.659 1.989 812 2HG ARG 40 2HG ARG 40 0.865 2.067 2.022 813 1HD ARG 40 1HD ARG 40 -1.295 3.159 3.833 814 2HD ARG 40 2HD ARG 40 -0.026 2.019 4.277 815 HE ARG 40 HE ARG 40 1.192 4.321 3.270 816 1HH1 ARG 40 1HH1 ARG 40 -0.734 3.335 6.002 817 2HH1 ARG 40 2HH1 ARG 40 -0.061 4.522 7.068 818 1HH2 ARG 40 1HH2 ARG 40 2.084 5.887 4.667 819 2HH2 ARG 40 2HH2 ARG 40 1.541 5.973 6.310 820 H GLU 41 H GLU 41 -1.701 5.600 -0.746 821 HA GLU 41 HA GLU 41 -0.961 8.114 0.491 822 1HB GLU 41 2HB GLU 41 -1.431 7.410 -2.405 823 2HB GLU 41 1HB GLU 41 -0.791 8.941 -1.823 824 1HG GLU 41 1HG GLU 41 1.145 7.784 -0.894 825 2HG GLU 41 2HG GLU 41 0.502 6.247 -1.472 826 H GLU 42 H GLU 42 -3.809 6.846 -1.232 827 HA GLU 42 HA GLU 42 -5.131 9.404 -1.209 828 1HB GLU 42 2HB GLU 42 -6.115 6.651 -1.955 829 2HB GLU 42 1HB GLU 42 -7.076 8.115 -2.108 830 1HG GLU 42 1HG GLU 42 -4.461 7.593 -3.508 831 2HG GLU 42 2HG GLU 42 -6.061 7.423 -4.227 832 H GLU 43 H GLU 43 -5.468 6.382 0.558 833 HA GLU 43 HA GLU 43 -7.763 7.008 1.998 834 1HB GLU 43 2HB GLU 43 -5.568 5.071 2.270 835 2HB GLU 43 1HB GLU 43 -6.431 5.442 3.759 836 1HG GLU 43 2HG GLU 43 -7.686 4.513 1.189 837 2HG GLU 43 1HG GLU 43 -7.375 3.506 2.600 838 H SER 44 H SER 44 -4.346 7.511 2.832 839 HA SER 44 HA SER 44 -4.735 8.673 5.347 840 1HB SER 44 1HB SER 44 -2.597 9.274 3.280 841 2HB SER 44 2HB SER 44 -2.529 9.765 4.972 842 HG SER 44 HG SER 44 -2.169 7.734 5.569 843 H ALA 45 H ALA 45 -5.014 9.877 2.110 844 HA ALA 45 HA ALA 45 -5.257 12.641 2.694 845 1HB ALA 45 1HB ALA 45 -4.854 12.475 0.483 846 2HB ALA 45 2HB ALA 45 -6.607 12.319 0.354 847 3HB ALA 45 3HB ALA 45 -5.592 10.873 0.370 848 H ALA 46 H ALA 46 -7.589 10.007 2.220 849 HA ALA 46 HA ALA 46 -9.938 11.531 2.417 850 1HB ALA 46 1HB ALA 46 -11.026 9.366 2.998 851 2HB ALA 46 2HB ALA 46 -9.424 8.633 3.085 852 3HB ALA 46 3HB ALA 46 -10.013 9.286 1.555 853 H ALA 47 H ALA 47 -7.924 9.975 4.854 854 HA ALA 47 HA ALA 47 -9.666 10.510 7.047 855 1HB ALA 47 1HB ALA 47 -8.306 9.017 7.966 856 2HB ALA 47 2HB ALA 47 -7.040 10.245 8.017 857 3HB ALA 47 3HB ALA 47 -7.171 9.172 6.624 858 H ALA 48 H ALA 48 -6.875 12.148 5.651 859 HA ALA 48 HA ALA 48 -6.563 14.102 7.658 860 1HB ALA 48 1HB ALA 48 -5.615 13.763 4.866 861 2HB ALA 48 2HB ALA 48 -4.698 13.986 6.356 862 3HB ALA 48 3HB ALA 48 -5.494 15.365 5.597 863 H GLU 49 H GLU 49 -8.417 14.093 4.635 864 HA GLU 49 HA GLU 49 -9.216 16.804 4.795 865 1HB GLU 49 2HB GLU 49 -10.858 16.235 3.068 866 2HB GLU 49 1HB GLU 49 -9.268 15.589 2.688 867 1HG GLU 49 2HG GLU 49 -9.973 13.386 3.458 868 2HG GLU 49 1HG GLU 49 -11.565 14.032 3.853 869 H VAL 50 H VAL 50 -10.687 13.809 5.956 870 HA VAL 50 HA VAL 50 -13.126 15.078 6.766 871 HB VAL 50 HB VAL 50 -13.648 12.945 7.885 872 1HG1 VAL 50 1HG1 VAL 50 -12.914 13.207 5.052 873 2HG1 VAL 50 2HG1 VAL 50 -14.430 12.690 5.791 874 3HG1 VAL 50 3HG1 VAL 50 -13.094 11.550 5.629 875 1HG2 VAL 50 1HG2 VAL 50 -11.324 11.533 6.797 876 2HG2 VAL 50 2HG2 VAL 50 -12.151 11.340 8.342 877 3HG2 VAL 50 3HG2 VAL 50 -10.957 12.621 8.134 878 H GLU 51 H GLU 51 -11.349 16.688 7.876 879 HA GLU 51 HA GLU 51 -10.450 15.996 10.466 880 1HB GLU 51 2HB GLU 51 -11.042 18.731 9.313 881 2HB GLU 51 1HB GLU 51 -10.110 18.416 10.770 882 1HG GLU 51 1HG GLU 51 -8.438 17.230 9.451 883 2HG GLU 51 2HG GLU 51 -9.368 17.548 7.988 884 H GLU 52 H GLU 52 -11.745 18.720 11.407 885 HA GLU 52 HA GLU 52 -14.488 18.230 11.787 886 1HB GLU 52 2HB GLU 52 -14.478 17.625 14.174 887 2HB GLU 52 1HB GLU 52 -13.719 16.382 13.190 888 1HG GLU 52 2HG GLU 52 -11.514 17.222 13.828 889 2HG GLU 52 1HG GLU 52 -12.280 18.457 14.826 890 H ARG 53 H ARG 53 -14.524 19.354 14.513 891 HA ARG 53 HA ARG 53 -14.629 21.394 15.510 892 1HB ARG 53 2HB ARG 53 -12.054 21.843 13.993 893 2HB ARG 53 1HB ARG 53 -12.645 22.853 15.303 894 1HG ARG 53 2HG ARG 53 -12.479 20.961 16.840 895 2HG ARG 53 1HG ARG 53 -11.885 19.948 15.522 896 1HD ARG 53 2HD ARG 53 -9.950 21.406 15.258 897 2HD ARG 53 1HD ARG 53 -10.550 22.450 16.546 898 HE ARG 53 HE ARG 53 -10.318 19.851 17.553 899 1HH1 ARG 53 1HH1 ARG 53 -8.293 22.437 16.393 900 2HH1 ARG 53 2HH1 ARG 53 -6.943 21.998 17.383 901 1HH2 ARG 53 1HH2 ARG 53 -8.545 19.265 18.863 902 2HH2 ARG 53 2HH2 ARG 53 -7.086 20.195 18.787 903 H THR 54 H THR 54 -13.042 22.483 12.531 904 HA THR 54 HA THR 54 -14.893 24.622 12.188 905 HB THR 54 HB THR 54 -12.600 24.884 11.438 906 HG1 THR 54 1HG THR 54 -13.602 26.187 10.098 907 1HG2 THR 54 1HG2 THR 54 -13.191 22.387 9.982 908 2HG2 THR 54 2HG2 THR 54 -11.670 22.978 10.650 909 3HG2 THR 54 3HG2 THR 54 -12.244 23.583 9.096 910 H ARG 55 H ARG 55 -16.638 24.804 10.890 911 HA ARG 55 HA ARG 55 -17.984 22.490 10.023 912 1HB ARG 55 2HB ARG 55 -18.450 25.376 9.247 913 2HB ARG 55 1HB ARG 55 -19.577 24.055 8.969 914 1HG ARG 55 1HG ARG 55 -18.648 25.037 11.661 915 2HG ARG 55 2HG ARG 55 -20.208 25.384 10.911 916 1HD ARG 55 2HD ARG 55 -20.726 22.985 10.908 917 2HD ARG 55 1HD ARG 55 -19.178 22.657 11.686 918 HE ARG 55 HE ARG 55 -20.584 24.503 13.250 919 1HH1 ARG 55 1HH1 ARG 55 -20.768 21.165 12.270 920 2HH1 ARG 55 2HH1 ARG 55 -21.597 20.657 13.702 921 1HH2 ARG 55 1HH2 ARG 55 -21.677 23.842 15.138 922 2HH2 ARG 55 2HH2 ARG 55 -22.115 22.178 15.331 923 H LYS 56 H LYS 56 -18.137 21.488 8.084 924 HA LYS 56 HA LYS 56 -16.090 22.022 6.142 925 1HB LYS 56 2HB LYS 56 -17.007 20.050 4.975 926 2HB LYS 56 1HB LYS 56 -16.666 19.727 6.669 927 1HG LYS 56 1HG LYS 56 -19.047 20.002 7.190 928 2HG LYS 56 2HG LYS 56 -19.377 20.281 5.478 929 1HD LYS 56 1HD LYS 56 -18.179 17.769 6.646 930 2HD LYS 56 2HD LYS 56 -19.860 17.966 6.143 931 1HE LYS 56 1HE LYS 56 -19.132 18.386 3.850 932 2HE LYS 56 2HE LYS 56 -17.449 18.212 4.348 933 1HZ LYS 56 1HZ LYS 56 -17.602 15.991 4.372 934 2HZ LYS 56 2HZ LYS 56 -18.952 16.220 3.379 935 3HZ LYS 56 3HZ LYS 56 -19.156 15.984 5.042 936 H LEU 57 H LEU 57 -17.683 24.248 6.270 937 HA LEU 57 HA LEU 57 -18.822 25.737 4.990 938 1HB LEU 57 2HB LEU 57 -17.105 25.160 3.344 939 2HB LEU 57 1HB LEU 57 -18.078 23.814 2.784 940 HG LEU 57 HG LEU 57 -19.811 25.414 2.025 941 1HD1 LEU 57 1HD1 LEU 57 -17.814 27.427 3.020 942 2HD1 LEU 57 2HD1 LEU 57 -19.520 27.276 3.439 943 3HD1 LEU 57 3HD1 LEU 57 -19.054 27.823 1.829 944 1HD2 LEU 57 1HD2 LEU 57 -17.034 25.407 0.976 945 2HD2 LEU 57 2HD2 LEU 57 -18.183 26.551 0.282 946 3HD2 LEU 57 3HD2 LEU 57 -18.526 24.822 0.240
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